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Structure

3-(4-hydroxyphenyl)-1,1,3-trimethylindan-5-ol

CAS
10527-11-4
Catalog Number
ACM10527114
Category
Main Products
Molecular Weight
268.35
Molecular Formula
C18H20O2

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Specification

Synonyms
5-Hydroxy-3-(4-hydroxyphenyl)-1,1,3-trimethylindan
Melting Point
169 °C
Appearance
White Solid
What is the molecular formula of the compound?

The molecular formula is C18H20O2.

What is the IUPAC name of the compound?

The IUPAC name is 3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol.

What is the molecular weight of the compound?

The molecular weight is 268.3 g/mol.

What is the InChI of the compound?

The InChI is InChI=1S/C18H20O2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17/h4-10,19-20H,11H2,1-3H3.

What is the InChIKey of the compound?

The InChIKey is TUJHKTMBIVIOOV-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1(CC(C2=C1C=CC(=C2)O)(C)C3=CC=C(C=C3)O).

What is the CAS number of the compound?

The CAS number is 10527-11-4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.9.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.

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