4-Pentylphenyl 4-methylbenzoate

• CAS: 50649-59-7
• Catalog Number: ACM50649597
• Category: Main Products
• Molecular Weight: 282.4g/mol
• Molecular Formula: C19H22O2
• Synonyms: 4-Pentylphenyl-methyl-benzoate
• IUPAC Name: (4-pentylphenyl) 4-methylbenzoate
• Canonical SMILES: CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C
• InChI: InChI=1S/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
• InChI Key: OFNFLSYTTLXGBM-UHFFFAOYSA-N
• Melting Point: 34-38 °C
• Appearance: White to yellow powder
• Complexity: 297
• Covalently-Bonded Unit Count: 1
• EC Number: 256-683-2
• Exact Mass: 282.16198g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 21
• Monoisotopic Mass: 282.16198g/mol
• Rotatable Bond Count: 7
• XLogP3: 6.1

Custom Q&A

What is the molecular formula of 4-Pentylphenyl 4-methylbenzoate?

The molecular formula of 4-Pentylphenyl 4-methylbenzoate is C19H22O2.

What is the molecular weight of 4-Pentylphenyl 4-methylbenzoate?

The molecular weight of 4-Pentylphenyl 4-methylbenzoate is 282.4 g/mol.

What is the IUPAC name of 4-Pentylphenyl 4-methylbenzoate?

The IUPAC name of 4-Pentylphenyl 4-methylbenzoate is (4-pentylphenyl) 4-methylbenzoate.

What is the InChI of 4-Pentylphenyl 4-methylbenzoate?

The InChI of 4-Pentylphenyl 4-methylbenzoate is InChI=1S/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3.

What is the InChIKey of 4-Pentylphenyl 4-methylbenzoate?

The InChIKey of 4-Pentylphenyl 4-methylbenzoate is OFNFLSYTTLXGBM-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Pentylphenyl 4-methylbenzoate?

The canonical SMILES of 4-Pentylphenyl 4-methylbenzoate is CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C.

What is the CAS number of 4-Pentylphenyl 4-methylbenzoate?

The CAS number of 4-Pentylphenyl 4-methylbenzoate is 50649-59-7.

What is the XLogP3-AA value of 4-Pentylphenyl 4-methylbenzoate?

The XLogP3-AA value of 4-Pentylphenyl 4-methylbenzoate is 6.1.

How many hydrogen bond donor counts does 4-Pentylphenyl 4-methylbenzoate have?

4-Pentylphenyl 4-methylbenzoate has 0 hydrogen bond donor counts.

How many rotatable bond counts does 4-Pentylphenyl 4-methylbenzoate have?

4-Pentylphenyl 4-methylbenzoate has 7 rotatable bond counts.