(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol

C12H14O2 — CID 177386861

IUPAC(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol
SMILESCOc1cccc([C@H]2C=C[C@@H](O)C2)c1
InChIInChI=1S/C12H14O2/c1-14-12-4-2-3-9(8-12)10-5-6-11(13)7-10/h2-6,8,10-11,13H,7H2,1H3/t10-,11+/m0/s1
InChIKeyYFGOFMVNZHIOIO-WDEREUQCSA-N
MW190.24 g/mol
LogP2.10
Rot. Bonds2

About (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol

(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol (PubChem CID 177386861) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol
PubChem CID177386861
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol
SMILESCOc1cccc([C@H]2C=C[C@@H](O)C2)c1
InChIInChI=1S/C12H14O2/c1-14-12-4-2-3-9(8-12)10-5-6-11(13)7-10/h2-6,8,10-11,13H,7H2,1H3/t10-,11+/m0/s1
InChIKeyYFGOFMVNZHIOIO-WDEREUQCSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
4-(3-methoxyphenyl)-1,2,3,4,4a,8a-hexahydronaphthalen-2-ol
CID 67978982
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 15402081
(1R,2S,3R,4R,5S)-3-(3-methoxyphenyl)-2,4-dinitro-5-propan-2-ylcyclohexan-1-ol
CID 24755799
3-(3-methoxyphenyl)oxetane
CID 130113867

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol (CID 177386861) is (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol is COc1cccc([C@H]2C=C[C@@H](O)C2)c1.
What is the InChIKey of (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol?
The InChIKey is YFGOFMVNZHIOIO-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12-4-2-3-9(8-12)10-5-6-11(13)7-10/h2-6,8,10-11,13H,7H2,1H3/t10-,11+/m0/s1.
What are the key properties of (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol?
(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol has a molecular weight of 190.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 177386861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).