(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol

C12H14O — CID 129405457

IUPAC(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@@H]1C=CCC1
InChIInChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-4,6-8,11-13H,5,9H2/t11-,12-/m1/s1
InChIKeyBSOVLMYJFMOKCA-VXGBXAGGSA-N
MW174.24 g/mol
LogP2.69
Rot. Bonds2

About (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol

(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol (PubChem CID 129405457) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
PubChem CID129405457
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@@H]1C=CCC1
InChIInChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-4,6-8,11-13H,5,9H2/t11-,12-/m1/s1
InChIKeyBSOVLMYJFMOKCA-VXGBXAGGSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.69
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

(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
CID 10608189
methyl 2-cyclopent-2-en-1-yl-2-phenylacetate
CID 10775105
4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
CID 24977181
cyclohept-2-en-1-yl-(4-methylphenyl)methanol
CID 2754969
[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol
CID 15466422
[(1S)-cyclopent-2-en-1-yl]methanediol
CID 134407008
2,3-dihydrothiophen-3-yl(phenyl)methanol
CID 89252636
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
1-[3-[(R)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]phenyl]ethanone
CID 164671376
(R)-[(1S)-cyclohex-2-en-1-yl]-(furan-3-yl)methanol
CID 132573813

Frequently Asked Questions

What is the IUPAC name of (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol?
The IUPAC name of (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol (CID 129405457) is (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol.
What is the SMILES notation for (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol?
The canonical SMILES for (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol is O[C@H](c1ccccc1)[C@@H]1C=CCC1.
What is the InChIKey of (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol?
The InChIKey is BSOVLMYJFMOKCA-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-4,6-8,11-13H,5,9H2/t11-,12-/m1/s1.
What are the key properties of (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol?
(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol has a molecular weight of 174.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol is sourced from PubChem (CID 129405457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).