(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol

C14H18O4 — CID 122393732

IUPAC(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol
SMILESCOc1cc([C@H]2C=C[C@@H](O)C2)cc(OC)c1OC
InChIInChI=1S/C14H18O4/c1-16-12-7-10(9-4-5-11(15)6-9)8-13(17-2)14(12)18-3/h4-5,7-9,11,15H,6H2,1-3H3/t9-,11+/m0/s1
InChIKeyDOFLIKJVIDAJRS-GXSJLCMTSA-N
MW250.29 g/mol
LogP2.12
Rot. Bonds4

About (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol

(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol (PubChem CID 122393732) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol
PubChem CID122393732
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol
SMILESCOc1cc([C@H]2C=C[C@@H](O)C2)cc(OC)c1OC
InChIInChI=1S/C14H18O4/c1-16-12-7-10(9-4-5-11(15)6-9)8-13(17-2)14(12)18-3/h4-5,7-9,11,15H,6H2,1-3H3/t9-,11+/m0/s1
InChIKeyDOFLIKJVIDAJRS-GXSJLCMTSA-N
XLogP2.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,4aS,5S,8aS)-1,5-bis(3,4,5-trimethoxyphenyl)-1,3,4,4a,5,7,8,8a-octahydropyrano[4,3-c]pyran-3,7-diol
CID 11755912
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
CID 15004762
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 124677082
2-[3-(3,4,5-trimethoxyphenyl)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 66899180
1-methyl-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82122753
[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate
CID 19887993
2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 11794734
dimethyl (1S,2S,3R,4R)-3,4-bis(3,4,5-trimethoxyphenyl)cyclobutane-1,2-dicarboxylate
CID 122215201
(1S,5R,8S,12R)-3,10-dimethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),6,10,13-pentaene
CID 14971118
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol (CID 122393732) is (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol is COc1cc([C@H]2C=C[C@@H](O)C2)cc(OC)c1OC.
What is the InChIKey of (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol?
The InChIKey is DOFLIKJVIDAJRS-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-12-7-10(9-4-5-11(15)6-9)8-13(17-2)14(12)18-3/h4-5,7-9,11,15H,6H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol?
(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol has a molecular weight of 250.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 122393732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).