(2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C14H13ClO3 — CID 134851890

IUPAC(2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CCC2=C1O[C@H](O)C[C@H]2c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO3/c15-9-3-1-8(2-4-9)11-7-13(17)18-14-10(11)5-6-12(14)16/h1-4,11,13,17H,5-7H2/t11-,13-/m0/s1
InChIKeyBKWAHJYMVNSMFU-AAEUAGOBSA-N
MW264.71 g/mol
LogP2.78
Rot. Bonds1

About (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 134851890) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID134851890
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name(2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CCC2=C1O[C@H](O)C[C@H]2c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO3/c15-9-3-1-8(2-4-9)11-7-13(17)18-14-10(11)5-6-12(14)16/h1-4,11,13,17H,5-7H2/t11-,13-/m0/s1
InChIKeyBKWAHJYMVNSMFU-AAEUAGOBSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one 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

(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284595
methyl (2R,4S)-4-(4-chlorophenyl)-2-hydroxy-7-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyran-2-carboxylate
CID 132578031
methyl (2R,4R)-4-(2-chlorophenyl)-2-hydroxy-7-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyran-2-carboxylate
CID 132578033
(2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 132608668
2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 134862380
3-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-2-hydroxycyclopent-2-en-1-one
CID 134862493
Ethyl 6-acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-2-carboxylate
CID 118351348
1-[2-Acetyl-4-(4-chlorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
CID 118351374
5-(4-Chlorophenyl)-2-ethoxycyclopent-2-en-1-one
CID 3728930
3-(4-Chlorophenyl)-2-ethoxycyclohex-2-en-1-one
CID 10538683
(2Z)-2-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-1-benzofuran-3-one
CID 13145296
(5S,6R)-5-(4-chlorophenyl)-6-methyl-6-pentanoyl-2,3,4,5-tetrahydrocyclopenta[b]pyran-7-one
CID 101895109

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 134851890) is (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is O=C1CCC2=C1O[C@H](O)C[C@H]2c1ccc(Cl)cc1.
What is the InChIKey of (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is BKWAHJYMVNSMFU-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H13ClO3/c15-9-3-1-8(2-4-9)11-7-13(17)18-14-10(11)5-6-12(14)16/h1-4,11,13,17H,5-7H2/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 264.71 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(4-chlorophenyl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 134851890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).