methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate

C21H22O3 — CID 134947668

IUPACmethyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate
SMILESC=C(c1ccccc1)[C@@]1(O)C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H22O3/c1-15(16-9-5-3-6-10-16)21(23)13-18(17-11-7-4-8-12-17)19(14-21)20(22)24-2/h3-12,18-19,23H,1,13-14H2,2H3/t18-,19+,21+/m1/s1
InChIKeyKFKFATIARJGUPX-DYXWJJEUSA-N
MW322.40 g/mol
LogP3.80
Rot. Bonds4

About methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate

methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate (PubChem CID 134947668) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate
PubChem CID134947668
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Namemethyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate
SMILESC=C(c1ccccc1)[C@@]1(O)C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H22O3/c1-15(16-9-5-3-6-10-16)21(23)13-18(17-11-7-4-8-12-17)19(14-21)20(22)24-2/h3-12,18-19,23H,1,13-14H2,2H3/t18-,19+,21+/m1/s1
InChIKeyKFKFATIARJGUPX-DYXWJJEUSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3S)-3-hydroxy-3-(4-phenylphenyl)cyclopentane-1-carboxylic acid
CID 137661543
trans-(1R,3S)-3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
CID 99996059
3-Hydroxy-3-phenylcyclopentane-1-carboxylic acid
CID 102568744
Methyl (RaSa,10SR,13SR)-13-Hydroxy-13-isopropyl-10,11,12,13,14,15-hexahydro-9H-dibenzo[a,c][11]annulene-10-carboxylate
CID 101490132
Methyl 2-(4-fluorophenyl)-4-hydroxy-4,6,6-trimethylcyclohex-2-ene-1-carboxylate
CID 14677867
(5R,8S,9S)-9-(4-fluorophenyl)-3-methylidene-1-oxaspiro[4.4]nonane-8-carboxylic acid
CID 67670040
3-[2-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-2-phenylcyclopentane-1-carboxylic acid
CID 88107435
cis-methyl (1S,3R)-1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate
CID 117618979
Methyl 1-(3-fluoro-2-methylphenyl)-3-hydroxy-3-methylcyclopentane-1-carboxylate
CID 123525723
methyl (5R,8S,9S)-9-(4-fluorophenyl)-3-methylidene-1-oxaspiro[4.4]nonane-8-carboxylate
CID 140397880
methyl (1R,2R,3R,4S)-1-hydroxy-3-methyl-4-phenyl-2-(4-phenylbut-1-en-2-yl)cyclopentane-1-carboxylate
CID 86276422
methyl (1R,2R,3R,4S)-1-hydroxy-3-methyl-4-phenyl-2-(1-phenylvinyl)cyclopentane-1-carboxylate
CID 86276424

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate (CID 134947668) is methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate is C=C(c1ccccc1)[C@@]1(O)C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1.
What is the InChIKey of methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate?
The InChIKey is KFKFATIARJGUPX-DYXWJJEUSA-N. The full InChI is InChI=1S/C21H22O3/c1-15(16-9-5-3-6-10-16)21(23)13-18(17-11-7-4-8-12-17)19(14-21)20(22)24-2/h3-12,18-19,23H,1,13-14H2,2H3/t18-,19+,21+/m1/s1.
What are the key properties of methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate?
methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate has a molecular weight of 322.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 134947668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).