2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol

C32H46O — CID 145238129

IUPAC2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol
SMILESCc1cc(C)c(C)c(C2CCC(C(C)(C)C3CCC(c4cc(C)cc(C)c4O)CC3)CC2)c1
InChIInChI=1S/C32H46O/c1-20-16-22(3)24(5)29(18-20)25-8-12-27(13-9-25)32(6,7)28-14-10-26(11-15-28)30-19-21(2)17-23(4)31(30)33/h16-19,25-28,33H,8-15H2,1-7H3
InChIKeyGWRHENOUIOLBDC-UHFFFAOYSA-N
MW446.72 g/mol
LogP9.21
Rot. Bonds4

About 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol

2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol (PubChem CID 145238129) has the molecular formula C32H46O and a molecular weight of 446.72 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol
PubChem CID145238129
Molecular FormulaC32H46O
Molecular Weight446.72 g/mol
Exact Mass446.35
IUPAC Name2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol
SMILESCc1cc(C)c(C)c(C2CCC(C(C)(C)C3CCC(c4cc(C)cc(C)c4O)CC3)CC2)c1
InChIInChI=1S/C32H46O/c1-20-16-22(3)24(5)29(18-20)25-8-12-27(13-9-25)32(6,7)28-14-10-26(11-15-28)30-19-21(2)17-23(4)31(30)33/h16-19,25-28,33H,8-15H2,1-7H3
InChIKeyGWRHENOUIOLBDC-UHFFFAOYSA-N
XLogP9.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol with MolForge

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Related Compounds

4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
CID 21020610
2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene
CID 161279154
1-cyclopropyl-3,5-dimethyl-2-(2-methylbutan-2-yl)benzene
CID 142205633
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol
CID 166727631
2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 71380266
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
2,4,6-tricyclopentyl-3-methylphenol
CID 3017206
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2,4-dimethyl-6-(2,3,5-trimethylphenyl)phenol
CID 90291954
4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 6453118

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol?
The IUPAC name of 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol (CID 145238129) is 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol.
What is the SMILES notation for 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol?
The canonical SMILES for 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol is Cc1cc(C)c(C)c(C2CCC(C(C)(C)C3CCC(c4cc(C)cc(C)c4O)CC3)CC2)c1.
What is the InChIKey of 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol?
The InChIKey is GWRHENOUIOLBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O/c1-20-16-22(3)24(5)29(18-20)25-8-12-27(13-9-25)32(6,7)28-14-10-26(11-15-28)30-19-21(2)17-23(4)31(30)33/h16-19,25-28,33H,8-15H2,1-7H3.
What are the key properties of 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol?
2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol has a molecular weight of 446.72 g/mol, XLogP of 9.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol is sourced from PubChem (CID 145238129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).