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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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).