2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol

C18H28O — CID 170673548

IUPAC2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol
SMILESCCCCc1cc(C)cc(C2(C)CCCCC2)c1O
InChIInChI=1S/C18H28O/c1-4-5-9-15-12-14(2)13-16(17(15)19)18(3)10-7-6-8-11-18/h12-13,19H,4-11H2,1-3H3
InChIKeyMTUNQYPTLQDPTD-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.27
Rot. Bonds4

About 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol

2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol (PubChem CID 170673548) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol.

Molecular Properties

Compound Name2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol
PubChem CID170673548
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol
SMILESCCCCc1cc(C)cc(C2(C)CCCCC2)c1O
InChIInChI=1S/C18H28O/c1-4-5-9-15-12-14(2)13-16(17(15)19)18(3)10-7-6-8-11-18/h12-13,19H,4-11H2,1-3H3
InChIKeyMTUNQYPTLQDPTD-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol?
The IUPAC name of 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol (CID 170673548) is 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol.
What is the SMILES notation for 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol?
The canonical SMILES for 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol is CCCCc1cc(C)cc(C2(C)CCCCC2)c1O.
What is the InChIKey of 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol?
The InChIKey is MTUNQYPTLQDPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-5-9-15-12-14(2)13-16(17(15)19)18(3)10-7-6-8-11-18/h12-13,19H,4-11H2,1-3H3.
What are the key properties of 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol?
2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol has a molecular weight of 260.42 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol is sourced from PubChem (CID 170673548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).