1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C17H25ClO — CID 60798187

IUPAC1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClO/c1-12(2)16-8-7-13(3)10-17(16,19)11-14-5-4-6-15(18)9-14/h4-6,9,12-13,16,19H,7-8,10-11H2,1-3H3
InChIKeyGGBXPAZFPFSVBY-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.71
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 60798187) has the molecular formula C17H25ClO and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID60798187
Molecular FormulaC17H25ClO
Molecular Weight280.84 g/mol
Exact Mass280.16
IUPAC Name1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClO/c1-12(2)16-8-7-13(3)10-17(16,19)11-14-5-4-6-15(18)9-14/h4-6,9,12-13,16,19H,7-8,10-11H2,1-3H3
InChIKeyGGBXPAZFPFSVBY-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 60798187) is 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is GGBXPAZFPFSVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO/c1-12(2)16-8-7-13(3)10-17(16,19)11-14-5-4-6-15(18)9-14/h4-6,9,12-13,16,19H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 280.84 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 60798187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).