1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol

C14H18Cl2O — CID 64755423

IUPAC1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2O/c1-9-3-4-10(2)14(17,8-9)11-5-6-12(15)13(16)7-11/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyXVBPUYNQKAKOMK-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.64
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol

1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol (PubChem CID 64755423) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol
PubChem CID64755423
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2O/c1-9-3-4-10(2)14(17,8-9)11-5-6-12(15)13(16)7-11/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyXVBPUYNQKAKOMK-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol
CID 130555024
1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755424
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol
CID 107287447
1-(3,5-difluorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64753777
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
CID 64755422
2,5-dimethyl-1-(1,2-thiazol-4-yl)cyclohexan-1-ol
CID 164648580
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
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,3S)-1-(3,4-dichlorophenyl)-3-methylcyclohexane-1-carbonitrile
CID 118055097
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol (CID 64755423) is 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol is CC1CCC(C)C(O)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol?
The InChIKey is XVBPUYNQKAKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-9-3-4-10(2)14(17,8-9)11-5-6-12(15)13(16)7-11/h5-7,9-10,17H,3-4,8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol?
1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol has a molecular weight of 273.20 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64755423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).