2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol

C32H38O3 — CID 131858680

IUPAC2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol
SMILESCc1ccccc1[C@@H]1CCCC[C@H]1Oc1cccc(O[C@@H]2CCCC[C@H]2c2ccccc2C)c1O
InChIInChI=1S/C32H38O3/c1-22-12-3-5-14-24(22)26-16-7-9-18-28(26)34-30-20-11-21-31(32(30)33)35-29-19-10-8-17-27(29)25-15-6-4-13-23(25)2/h3-6,11-15,20-21,26-29,33H,7-10,16-19H2,1-2H3/t26-,27-,28+,29+/m0/s1
InChIKeyWADAPPSXFOBEFH-QUAHOIDUSA-N
MW470.65 g/mol
LogP8.22
Rot. Bonds6

About 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol

2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol (PubChem CID 131858680) has the molecular formula C32H38O3 and a molecular weight of 470.65 g/mol. Its IUPAC name is 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol.

Molecular Properties

Compound Name2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol
PubChem CID131858680
Molecular FormulaC32H38O3
Molecular Weight470.65 g/mol
Exact Mass470.28
IUPAC Name2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol
SMILESCc1ccccc1[C@@H]1CCCC[C@H]1Oc1cccc(O[C@@H]2CCCC[C@H]2c2ccccc2C)c1O
InChIInChI=1S/C32H38O3/c1-22-12-3-5-14-24(22)26-16-7-9-18-28(26)34-30-20-11-21-31(32(30)33)35-29-19-10-8-17-27(29)25-15-6-4-13-23(25)2/h3-6,11-15,20-21,26-29,33H,7-10,16-19H2,1-2H3/t26-,27-,28+,29+/m0/s1
InChIKeyWADAPPSXFOBEFH-QUAHOIDUSA-N
XLogP8.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
1-methyl-2-(2-methylcyclohexyl)oxybenzene
CID 139448709
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol
CID 79847908
trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine
CID 97356100
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
CID 79836746
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
CID 63474157
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol
CID 20548921
10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol
CID 91093858
(2-methylcyclohexyl) 2-(2-methylcyclohexyl)oxybenzoate
CID 57133413
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
2-[(1R,2S)-2-(2-methylphenyl)cyclohexyl]sulfanylacetic acid
CID 125464126

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol?
The IUPAC name of 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol (CID 131858680) is 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol.
What is the SMILES notation for 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol?
The canonical SMILES for 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol is Cc1ccccc1[C@@H]1CCCC[C@H]1Oc1cccc(O[C@@H]2CCCC[C@H]2c2ccccc2C)c1O.
What is the InChIKey of 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol?
The InChIKey is WADAPPSXFOBEFH-QUAHOIDUSA-N. The full InChI is InChI=1S/C32H38O3/c1-22-12-3-5-14-24(22)26-16-7-9-18-28(26)34-30-20-11-21-31(32(30)33)35-29-19-10-8-17-27(29)25-15-6-4-13-23(25)2/h3-6,11-15,20-21,26-29,33H,7-10,16-19H2,1-2H3/t26-,27-,28+,29+/m0/s1.
What are the key properties of 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol?
2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol has a molecular weight of 470.65 g/mol, XLogP of 8.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol is sourced from PubChem (CID 131858680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).