2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid

C17H16O4 — CID 57368066

IUPAC2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C3H4O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3(4)5/h1-10,13,15H;2H,1H2,(H,4,5)
InChIKeyQBQUAVQKVLSWMY-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.86
Rot. Bonds4

About 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid

2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid (PubChem CID 57368066) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
PubChem CID57368066
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C3H4O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3(4)5/h1-10,13,15H;2H,1H2,(H,4,5)
InChIKeyQBQUAVQKVLSWMY-UHFFFAOYSA-N
XLogP2.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
2-hydroxy-1,2-diphenylethanone
CID 159399559
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
CID 87963505
butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
CID 174584403
[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane
CID 175164297
acetaldehyde;2-hydroxy-1,2-diphenylethanone;(2S)-2-hydroxy-1,2-diphenylethanone;(2R)-2-hydroxy-1-phenylpropan-1-one;methane
CID 159381131
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid
CID 70348644

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid (CID 57368066) is 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid is C=CC(=O)O.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid?
The InChIKey is QBQUAVQKVLSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C3H4O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2-3(4)5/h1-10,13,15H;2H,1H2,(H,4,5).
What are the key properties of 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid?
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid is sourced from PubChem (CID 57368066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).