4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol

C31H44O2 — CID 170685769

IUPAC4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol
SMILESCc1cc(C(C)(C)c2cc(C)c(O)c(C3(C)CCCCC3)c2)cc(C2(C)CCCCC2)c1O
InChIInChI=1S/C31H44O2/c1-21-17-23(19-25(27(21)32)30(5)13-9-7-10-14-30)29(3,4)24-18-22(2)28(33)26(20-24)31(6)15-11-8-12-16-31/h17-20,32-33H,7-16H2,1-6H3
InChIKeyHDAOEWZFUNDQNZ-UHFFFAOYSA-N
MW448.69 g/mol
LogP8.48
Rot. Bonds4

About 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol

4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol (PubChem CID 170685769) has the molecular formula C31H44O2 and a molecular weight of 448.69 g/mol. Its IUPAC name is 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol.

Molecular Properties

Compound Name4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol
PubChem CID170685769
Molecular FormulaC31H44O2
Molecular Weight448.69 g/mol
Exact Mass448.33
IUPAC Name4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol
SMILESCc1cc(C(C)(C)c2cc(C)c(O)c(C3(C)CCCCC3)c2)cc(C2(C)CCCCC2)c1O
InChIInChI=1S/C31H44O2/c1-21-17-23(19-25(27(21)32)30(5)13-9-7-10-14-30)29(3,4)24-18-22(2)28(33)26(20-24)31(6)15-11-8-12-16-31/h17-20,32-33H,7-16H2,1-6H3
InChIKeyHDAOEWZFUNDQNZ-UHFFFAOYSA-N
XLogP8.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol with MolForge

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Related Compounds

2,4-dimethyl-6-(1-methylcyclohexyl)phenol
CID 6485
4-methyl-2,6-bis(1-methylcyclohexyl)phenol
CID 22281157
2-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]sulfanyl-4-methyl-6-(1-methylcyclohexyl)phenol
CID 21499287
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
CID 21020610
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159439965
2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol
CID 87985797
4-tert-butyl-2-(1-methylcyclohexyl)-6-[[(1R,2R)-2-sulfanylcyclooctyl]sulfanylmethyl]phenol
CID 150816827
2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol
CID 170673548
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
CID 154629594
2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol
CID 91361642
4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
CID 123739587
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol?
The IUPAC name of 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol (CID 170685769) is 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol.
What is the SMILES notation for 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol?
The canonical SMILES for 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol is Cc1cc(C(C)(C)c2cc(C)c(O)c(C3(C)CCCCC3)c2)cc(C2(C)CCCCC2)c1O.
What is the InChIKey of 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol?
The InChIKey is HDAOEWZFUNDQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O2/c1-21-17-23(19-25(27(21)32)30(5)13-9-7-10-14-30)29(3,4)24-18-22(2)28(33)26(20-24)31(6)15-11-8-12-16-31/h17-20,32-33H,7-16H2,1-6H3.
What are the key properties of 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol?
4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol has a molecular weight of 448.69 g/mol, XLogP of 8.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol is sourced from PubChem (CID 170685769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).