(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol

C18H28O — CID 106828378

IUPAC(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol
SMILESCCc1ccc(C(O)C2(C)CCCCC2)cc1CC
InChIInChI=1S/C18H28O/c1-4-14-9-10-16(13-15(14)5-2)17(19)18(3)11-7-6-8-12-18/h9-10,13,17,19H,4-8,11-12H2,1-3H3
InChIKeyDBAACBFFZOMZOT-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.82
Rot. Bonds4

About (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol

(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol (PubChem CID 106828378) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol
PubChem CID106828378
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol
SMILESCCc1ccc(C(O)C2(C)CCCCC2)cc1CC
InChIInChI=1S/C18H28O/c1-4-14-9-10-16(13-15(14)5-2)17(19)18(3)11-7-6-8-12-18/h9-10,13,17,19H,4-8,11-12H2,1-3H3
InChIKeyDBAACBFFZOMZOT-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115482596
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
CID 107292057
1-(3,4-diethylphenyl)propan-1-ol
CID 115482676
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
(1-methylcyclopentyl)-(2-methylquinolin-6-yl)methanol
CID 115826661
(1-methylcyclopentyl)-quinolin-6-ylmethanol
CID 115826798
(3,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106830959
(5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol
CID 106828260
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol?
The IUPAC name of (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol (CID 106828378) is (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol is CCc1ccc(C(O)C2(C)CCCCC2)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol?
The InChIKey is DBAACBFFZOMZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-14-9-10-16(13-15(14)5-2)17(19)18(3)11-7-6-8-12-18/h9-10,13,17,19H,4-8,11-12H2,1-3H3.
What are the key properties of (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol?
(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol has a molecular weight of 260.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106828378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).