(1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol

C12H14O — CID 10986775

IUPAC(1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol
SMILESCc1ccccc1[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C12H14O/c1-9-4-2-3-5-12(9)10-6-7-11(13)8-10/h2-7,10-11,13H,8H2,1H3/t10-,11-/m1/s1
InChIKeyYFFZHQYYMNWOEI-GHMZBOCLSA-N
MW174.24 g/mol
LogP2.40
Rot. Bonds1

About (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol

(1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol (PubChem CID 10986775) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol
PubChem CID10986775
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol
SMILESCc1ccccc1[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C12H14O/c1-9-4-2-3-5-12(9)10-6-7-11(13)8-10/h2-7,10-11,13H,8H2,1H3/t10-,11-/m1/s1
InChIKeyYFFZHQYYMNWOEI-GHMZBOCLSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.40
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

(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol
CID 122393737
ethyl 2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]benzoate
CID 135039820
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
(1S,4R)-4-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]cyclopent-2-en-1-ol
CID 40777521
3-(2-methylphenyl)cyclohexan-1-ol
CID 64513685
1-cyclopent-2-en-1-yl-2-methylbenzene
CID 12699492
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
2-(2-methylphenyl)piperidin-3-ol
CID 82403237

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol (CID 10986775) is (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol is Cc1ccccc1[C@@H]1C=C[C@@H](O)C1.
What is the InChIKey of (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol?
The InChIKey is YFFZHQYYMNWOEI-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14O/c1-9-4-2-3-5-12(9)10-6-7-11(13)8-10/h2-7,10-11,13H,8H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol?
(1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(2-methylphenyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 10986775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).