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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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 65316567
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428390
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717323
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
1-[(3-chlorophenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 65376639
(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 51946867
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509
1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430001
2-[(3-chlorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401361
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
3-[(3-chlorophenyl)methyl]thietan-3-ol
CID 83689574

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).