(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one

C17H16O2 — CID 134968055

IUPAC(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
SMILESC=C[C@H](c1ccccc1)[C@H](O)C(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-15(13-9-5-3-6-10-13)17(19)16(18)14-11-7-4-8-12-14/h2-12,15,17,19H,1H2/t15-,17+/m1/s1
InChIKeyAQRAQENGURJPDS-WBVHZDCISA-N
MW252.31 g/mol
LogP3.20
Rot. Bonds5

About (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one

(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one (PubChem CID 134968055) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one.

Molecular Properties

Compound Name(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
PubChem CID134968055
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
SMILESC=C[C@H](c1ccccc1)[C@H](O)C(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-15(13-9-5-3-6-10-13)17(19)16(18)14-11-7-4-8-12-14/h2-12,15,17,19H,1H2/t15-,17+/m1/s1
InChIKeyAQRAQENGURJPDS-WBVHZDCISA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.20
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

(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one
CID 131847113
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
2-hydroxy-1,2-diphenylethanone
CID 159399559
4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
CID 139841493
2-chloro-1-(4-ethenylphenyl)-2-phenylethanone
CID 146008003
2,3,4,4-tetrahydroxy-1-phenylbutan-1-one
CID 66852156
(2S)-1-(4-methoxyphenyl)-2-[(1S)-1-phenylprop-2-enyl]butane-1,3-dione
CID 122378401

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one?
The IUPAC name of (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one (CID 134968055) is (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one.
What is the SMILES notation for (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one?
The canonical SMILES for (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one is C=C[C@H](c1ccccc1)[C@H](O)C(=O)c1ccccc1.
What is the InChIKey of (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one?
The InChIKey is AQRAQENGURJPDS-WBVHZDCISA-N. The full InChI is InChI=1S/C17H16O2/c1-2-15(13-9-5-3-6-10-13)17(19)16(18)14-11-7-4-8-12-14/h2-12,15,17,19H,1H2/t15-,17+/m1/s1.
What are the key properties of (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one?
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one is sourced from PubChem (CID 134968055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).