4-methyl-2,6-bis(1-methylcyclohexyl)phenol

C21H32O — CID 22281157

IUPAC4-methyl-2,6-bis(1-methylcyclohexyl)phenol
SMILESCc1cc(C2(C)CCCCC2)c(O)c(C2(C)CCCCC2)c1
InChIInChI=1S/C21H32O/c1-16-14-17(20(2)10-6-4-7-11-20)19(22)18(15-16)21(3)12-8-5-9-13-21/h14-15,22H,4-13H2,1-3H3
InChIKeyVSRQFEOKWMJULQ-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.14
Rot. Bonds2

About 4-methyl-2,6-bis(1-methylcyclohexyl)phenol

4-methyl-2,6-bis(1-methylcyclohexyl)phenol (PubChem CID 22281157) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-methyl-2,6-bis(1-methylcyclohexyl)phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis(1-methylcyclohexyl)phenol
PubChem CID22281157
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name4-methyl-2,6-bis(1-methylcyclohexyl)phenol
SMILESCc1cc(C2(C)CCCCC2)c(O)c(C2(C)CCCCC2)c1
InChIInChI=1S/C21H32O/c1-16-14-17(20(2)10-6-4-7-11-20)19(22)18(15-16)21(3)12-8-5-9-13-21/h14-15,22H,4-13H2,1-3H3
InChIKeyVSRQFEOKWMJULQ-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-6-(1-methylcyclohexyl)phenol
CID 6485
2-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]sulfanyl-4-methyl-6-(1-methylcyclohexyl)phenol
CID 21499287
2-[1-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]propyl]-4-methyl-6-(1-methylcyclohexyl)phenol
CID 87985797
2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol
CID 170673548
4-[2-[4-hydroxy-3-methyl-5-(1-methylcyclohexyl)phenyl]propan-2-yl]-2-methyl-6-(1-methylcyclohexyl)phenol
CID 170685769
2-[[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]-(oxolan-3-yl)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
CID 21020918
2-[(7,7-dimethyl-3-bicyclo[4.1.0]hept-1(6)-enyl)-[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
CID 59682530
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
CID 177102156
2-(1-aminocyclohexyl)-6-tert-butyl-4-methylphenol
CID 117408744
11-fluoro-3,7-dimethyl-1,9-bis(1-methylcyclohexyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 18358506
4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol
CID 23520892

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(1-methylcyclohexyl)phenol?
The IUPAC name of 4-methyl-2,6-bis(1-methylcyclohexyl)phenol (CID 22281157) is 4-methyl-2,6-bis(1-methylcyclohexyl)phenol.
What is the SMILES notation for 4-methyl-2,6-bis(1-methylcyclohexyl)phenol?
The canonical SMILES for 4-methyl-2,6-bis(1-methylcyclohexyl)phenol is Cc1cc(C2(C)CCCCC2)c(O)c(C2(C)CCCCC2)c1.
What is the InChIKey of 4-methyl-2,6-bis(1-methylcyclohexyl)phenol?
The InChIKey is VSRQFEOKWMJULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-16-14-17(20(2)10-6-4-7-11-20)19(22)18(15-16)21(3)12-8-5-9-13-21/h14-15,22H,4-13H2,1-3H3.
What are the key properties of 4-methyl-2,6-bis(1-methylcyclohexyl)phenol?
4-methyl-2,6-bis(1-methylcyclohexyl)phenol has a molecular weight of 300.49 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(1-methylcyclohexyl)phenol is sourced from PubChem (CID 22281157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).