2-hydroxy-1,2,3-triphenylpent-4-en-1-one

C23H20O2 — CID 11370873

IUPAC2-hydroxy-1,2,3-triphenylpent-4-en-1-one
SMILESC=CC(c1ccccc1)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-2-21(18-12-6-3-7-13-18)23(25,20-16-10-5-11-17-20)22(24)19-14-8-4-9-15-19/h2-17,21,25H,1H2
InChIKeyCBWZCFFPPIYVCH-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.73
Rot. Bonds6

About 2-hydroxy-1,2,3-triphenylpent-4-en-1-one

2-hydroxy-1,2,3-triphenylpent-4-en-1-one (PubChem CID 11370873) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-hydroxy-1,2,3-triphenylpent-4-en-1-one.

Molecular Properties

Compound Name2-hydroxy-1,2,3-triphenylpent-4-en-1-one
PubChem CID11370873
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name2-hydroxy-1,2,3-triphenylpent-4-en-1-one
SMILESC=CC(c1ccccc1)C(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-2-21(18-12-6-3-7-13-18)23(25,20-16-10-5-11-17-20)22(24)19-14-8-4-9-15-19/h2-17,21,25H,1H2
InChIKeyCBWZCFFPPIYVCH-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.73
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,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
N-(1,1,2-triphenylbut-3-enyl)benzamide
CID 175544491
(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
CID 132538281
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
(2R,3R)-2-methoxy-3-(4-methylphenyl)-1,2-diphenylpent-4-en-1-one
CID 134955659
2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
CID 13026557
(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
CID 102279289
(2S,3R)-2-methoxy-1,2-diphenyl-3-[4-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 132538275
2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
CID 14433421
N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
CID 175544554
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2,3-triphenylpent-4-en-1-one?
The IUPAC name of 2-hydroxy-1,2,3-triphenylpent-4-en-1-one (CID 11370873) is 2-hydroxy-1,2,3-triphenylpent-4-en-1-one.
What is the SMILES notation for 2-hydroxy-1,2,3-triphenylpent-4-en-1-one?
The canonical SMILES for 2-hydroxy-1,2,3-triphenylpent-4-en-1-one is C=CC(c1ccccc1)C(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,2,3-triphenylpent-4-en-1-one?
The InChIKey is CBWZCFFPPIYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-2-21(18-12-6-3-7-13-18)23(25,20-16-10-5-11-17-20)22(24)19-14-8-4-9-15-19/h2-17,21,25H,1H2.
What are the key properties of 2-hydroxy-1,2,3-triphenylpent-4-en-1-one?
2-hydroxy-1,2,3-triphenylpent-4-en-1-one has a molecular weight of 328.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2,3-triphenylpent-4-en-1-one is sourced from PubChem (CID 11370873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).