2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol

C29H40O2 — CID 21020610

IUPAC2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
SMILESCc1cc(C(C)(C)c2cc(C)c(O)c(C3CCCCC3)c2)cc(C2CCCCC2)c1O
InChIInChI=1S/C29H40O2/c1-19-15-23(17-25(27(19)30)21-11-7-5-8-12-21)29(3,4)24-16-20(2)28(31)26(18-24)22-13-9-6-10-14-22/h15-18,21-22,30-31H,5-14H2,1-4H3
InChIKeyKTEBJDKDODQCQH-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.14
Rot. Bonds4

About 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol

2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol (PubChem CID 21020610) has the molecular formula C29H40O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
PubChem CID21020610
Molecular FormulaC29H40O2
Molecular Weight420.64 g/mol
Exact Mass420.30
IUPAC Name2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
SMILESCc1cc(C(C)(C)c2cc(C)c(O)c(C3CCCCC3)c2)cc(C2CCCCC2)c1O
InChIInChI=1S/C29H40O2/c1-19-15-23(17-25(27(19)30)21-11-7-5-8-12-21)29(3,4)24-16-20(2)28(31)26(18-24)22-13-9-6-10-14-22/h15-18,21-22,30-31H,5-14H2,1-4H3
InChIKeyKTEBJDKDODQCQH-UHFFFAOYSA-N
XLogP8.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol?
The IUPAC name of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol (CID 21020610) is 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol.
What is the SMILES notation for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol?
The canonical SMILES for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol is Cc1cc(C(C)(C)c2cc(C)c(O)c(C3CCCCC3)c2)cc(C2CCCCC2)c1O.
What is the InChIKey of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol?
The InChIKey is KTEBJDKDODQCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2/c1-19-15-23(17-25(27(19)30)21-11-7-5-8-12-21)29(3,4)24-16-20(2)28(31)26(18-24)22-13-9-6-10-14-22/h15-18,21-22,30-31H,5-14H2,1-4H3.
What are the key properties of 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol?
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol has a molecular weight of 420.64 g/mol, XLogP of 8.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol is sourced from PubChem (CID 21020610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).