1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol

C15H21ClO — CID 107559539

IUPAC1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H21ClO/c1-3-12-6-4-5-9-15(12,17)13-8-7-11(2)14(16)10-13/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyFIUATZDJLBALJQ-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.44
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol

1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol (PubChem CID 107559539) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol
PubChem CID107559539
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H21ClO/c1-3-12-6-4-5-9-15(12,17)13-8-7-11(2)14(16)10-13/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyFIUATZDJLBALJQ-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;cis-(1S,2S)-2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;cis-(1R,2R)-2-(aminomethyl)-1-(3,4-dichlorophenyl)cyclohexan-1-ol;methane
CID 159871418
cis-(1R,2R)-1-[3-chloro-4-(dimethylamino)phenyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 134354580
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107287864
2-(azepan-1-ylmethyl)-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 10125712
1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine
CID 107559775
[3-(2-ethyl-1-hydroxycyclohexyl)phenyl] trifluoromethanesulfonate
CID 58912078
4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
CID 107559480
[2-(4-chlorophenyl)-2-hydroxycyclohexyl]methyl-trimethylazanium iodide
CID 9654
4-(3,4-dimethylphenyl)-3-ethylpiperidin-4-ol
CID 114510413
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
1-(2,6-dimethoxyphenyl)-2-ethylcyclohexan-1-ol
CID 116809729

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol (CID 107559539) is 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol is CCC1CCCCC1(O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol?
The InChIKey is FIUATZDJLBALJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-3-12-6-4-5-9-15(12,17)13-8-7-11(2)14(16)10-13/h7-8,10,12,17H,3-6,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol?
1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol has a molecular weight of 252.78 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 107559539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).