1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol

C16H22Cl2O — CID 107429754

IUPAC1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H22Cl2O/c1-11(2)8-12-4-3-7-16(19,10-12)13-5-6-14(17)15(18)9-13/h5-6,9,11-12,19H,3-4,7-8,10H2,1-2H3
InChIKeyOEWWDQPVSWGEGO-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.42
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429754) has the molecular formula C16H22Cl2O and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429754
Molecular FormulaC16H22Cl2O
Molecular Weight301.26 g/mol
Exact Mass300.10
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H22Cl2O/c1-11(2)8-12-4-3-7-16(19,10-12)13-5-6-14(17)15(18)9-13/h5-6,9,11-12,19H,3-4,7-8,10H2,1-2H3
InChIKeyOEWWDQPVSWGEGO-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclopropyloxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429676
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693
1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429867
1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429613
1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429701
1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429787
1-(3-methoxypyrazin-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429636
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429597
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
trans-(1S,3R)-3-(3,4-dichlorophenyl)-3-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 69454668
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429592

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429754) is 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is OEWWDQPVSWGEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O/c1-11(2)8-12-4-3-7-16(19,10-12)13-5-6-14(17)15(18)9-13/h5-6,9,11-12,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 301.26 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).