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

C14H14O3 — CID 132608668

IUPAC(2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CCC2=C1O[C@H](O)C[C@H]2c1ccccc1
InChIInChI=1S/C14H14O3/c15-12-7-6-10-11(8-13(16)17-14(10)12)9-4-2-1-3-5-9/h1-5,11,13,16H,6-8H2/t11-,13-/m0/s1
InChIKeyKCEVRHOSTQHCHO-AAEUAGOBSA-N
MW230.26 g/mol
LogP2.13
Rot. Bonds1

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

(2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 132608668) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID132608668
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CCC2=C1O[C@H](O)C[C@H]2c1ccccc1
InChIInChI=1S/C14H14O3/c15-12-7-6-10-11(8-13(16)17-14(10)12)9-4-2-1-3-5-9/h1-5,11,13,16H,6-8H2/t11-,13-/m0/s1
InChIKeyKCEVRHOSTQHCHO-AAEUAGOBSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-5-(4-fluorophenyl)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 168350800
(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284593
1-[2-Acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
CID 118351372
5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11160203
(6S)-6-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11206665
(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 16733560
(5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 24866080
2-Cyclopenten-1-one, 2-ethoxy-4-phenyl-
CID 45093932
2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 73315239
(5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 101274639
2-hydroxy-3-[(1S)-3-hydroxy-1-phenylpropyl]cyclopent-2-en-1-one
CID 101562503
(5S,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102404259

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 132608668) is (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is O=C1CCC2=C1O[C@H](O)C[C@H]2c1ccccc1.
What is the InChIKey of (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is KCEVRHOSTQHCHO-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H14O3/c15-12-7-6-10-11(8-13(16)17-14(10)12)9-4-2-1-3-5-9/h1-5,11,13,16H,6-8H2/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 230.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-hydroxy-4-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 132608668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).