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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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).