(1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol

C12H13ClO — CID 132603580

IUPAC(1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol
SMILESC[C@]1(O)CC=C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO/c1-12(14)8-2-3-11(12)9-4-6-10(13)7-5-9/h2-7,11,14H,8H2,1H3/t11-,12+/m1/s1
InChIKeyOKMYKGQPPGBLTM-NEPJUHHUSA-N
MW208.69 g/mol
LogP3.13
Rot. Bonds1

About (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol

(1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol (PubChem CID 132603580) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol
PubChem CID132603580
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name(1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol
SMILESC[C@]1(O)CC=C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO/c1-12(14)8-2-3-11(12)9-4-6-10(13)7-5-9/h2-7,11,14H,8H2,1H3/t11-,12+/m1/s1
InChIKeyOKMYKGQPPGBLTM-NEPJUHHUSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol
CID 67865939
1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
CID 13139025
3-(4-chlorophenyl)-2,2-dimethylcyclobutan-1-one
CID 11789026
(2R,3S,4R,5R)-2,4-diacetyl-3-(4-chlorophenyl)-5-hydroxy-5-methylcyclohexan-1-one
CID 98171853
(2R,4R,5R)-2-(4-chlorophenyl)-4,5-dihydroxy-1,5-dimethylpiperidine-4-carbonitrile
CID 11055088
ditert-butyl (1R,2S,3R,4R)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 98229927
diethyl (1S,2S,3S,4S)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 7073281
ditert-butyl (1S,2S,3R,4S)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 6555067
ditert-butyl (1S,2R,3S,4R)-2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 40782850
5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
CID 23373017
2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
CID 597249
(2R,3R)-2,3-bis(4-chlorophenyl)thiirane
CID 11312048

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol?
The IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol (CID 132603580) is (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol is C[C@]1(O)CC=C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol?
The InChIKey is OKMYKGQPPGBLTM-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H13ClO/c1-12(14)8-2-3-11(12)9-4-6-10(13)7-5-9/h2-7,11,14H,8H2,1H3/t11-,12+/m1/s1.
What are the key properties of (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol?
(1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol has a molecular weight of 208.69 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(4-chlorophenyl)-1-methylcyclopent-3-en-1-ol is sourced from PubChem (CID 132603580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).