(S)-2,2'-Dimethoxy-1,1'-binaphthyl

• CAS: 75640-87-8
• Catalog Number: ACM75640878
• Category: Ethers
• Molecular Weight: 314.384g/mol
• Molecular Formula: C22H18O2
• Synonyms: (R)-(+)-2,2'-Dimethoxy-1,1'-bi-naphthol; MFCD00091146; AC1L5US5; (R)-2,2'-Dimethoxy-1,1'-binaphthalene; BRD-K24986965-001-01-8; (R)-2,2 inverted exclamation mark -Dimethoxy-1,1 inverted exclamation mark -binaphthalene; HMS1473E11; ( inverted exclamation markA)-1,1 inverted exclamation marka-Bi-2-naphthol dimethyl ether; (S)-1,1'-Bi-2-naphthol Dimethyl Ether; (aS)-2,2'-Dimethoxy-1,1'-binaphthalene
• IUPAC Name: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene
• Canonical SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC
• InChI: InChI=1S/C22H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
• InChI Key: BJAADAKPADTRCH-UHFFFAOYSA-N
• Complexity: 371
• Covalently-Bonded Unit Count: 1
• Exact Mass: 314.131g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 24
• Monoisotopic Mass: 314.131g/mol
• NSC Number: 244962
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 18.5A^2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C13H10N2.

What is the molecular weight of the compound?

The molecular weight of the compound is 194.23 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(pyridin-3-ylmethyl)benzonitrile.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H10N2/c14-9-12-5-3-11(4-6-12)8-13-2-1-7-15-10-13/h1-7,10H,8H2.

What is the InChIKey of the compound?

The InChIKey of the compound is BSYVIJZXPRACHS-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1=CC(=CN=C1)CC2=CC=C(C=C2)C#N.

What is the CAS number of the compound?

The CAS number of the compound is 112809-49-1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.5.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.