1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

C17H25ClO — CID 112682618

IUPAC1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClO/c1-15(2)10-16(3,4)12-17(19,11-15)9-13-6-5-7-14(18)8-13/h5-8,19H,9-12H2,1-4H3
InChIKeyAOWMLAJTLIUHAB-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.85
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol

1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 112682618) has the molecular formula C17H25ClO and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID112682618
Molecular FormulaC17H25ClO
Molecular Weight280.84 g/mol
Exact Mass280.16
IUPAC Name1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClO/c1-15(2)10-16(3,4)12-17(19,11-15)9-13-6-5-7-14(18)8-13/h5-8,19H,9-12H2,1-4H3
InChIKeyAOWMLAJTLIUHAB-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
3-[(3-chlorophenyl)methyl]thietan-3-ol
CID 83689574
2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 60799487
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392356
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699934
2-[(3-chlorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401361
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717323
2-[(3-chlorophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
CID 117226818
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol (CID 112682618) is 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is CC1(C)CC(C)(C)CC(O)(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is AOWMLAJTLIUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO/c1-15(2)10-16(3,4)12-17(19,11-15)9-13-6-5-7-14(18)8-13/h5-8,19H,9-12H2,1-4H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol?
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 280.84 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 112682618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).