1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone

C19H16O7 — CID 174566620

IUPAC1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1cc(C(=O)CO)c(C(=O)c2ccccc2)c(C(=O)CO)c1
InChIInChI=1S/C19H16O7/c20-8-15(23)12-6-13(16(24)9-21)18(14(7-12)17(25)10-22)19(26)11-4-2-1-3-5-11/h1-7,20-22H,8-10H2
InChIKeyYDZOBOJTSCDCOM-UHFFFAOYSA-N
MW356.33 g/mol
LogP0.44
Rot. Bonds8

About 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone

1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone (PubChem CID 174566620) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone
PubChem CID174566620
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1cc(C(=O)CO)c(C(=O)c2ccccc2)c(C(=O)CO)c1
InChIInChI=1S/C19H16O7/c20-8-15(23)12-6-13(16(24)9-21)18(14(7-12)17(25)10-22)19(26)11-4-2-1-3-5-11/h1-7,20-22H,8-10H2
InChIKeyYDZOBOJTSCDCOM-UHFFFAOYSA-N
XLogP0.44
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

benzene;2-hydroxy-1-phenylethanone
CID 174663024
azane;2-hydroxy-1-phenylethanone
CID 161228887
diphenylmethanone;gold
CID 174931146
diphenylmethanone
CID 3102
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
butanoic acid;2-hydroxy-1-phenylethanone
CID 175969128
2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine
CID 159852877
2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone
CID 173305848
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064

Frequently Asked Questions

What is the IUPAC name of 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone (CID 174566620) is 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone is O=C(CO)c1cc(C(=O)CO)c(C(=O)c2ccccc2)c(C(=O)CO)c1.
What is the InChIKey of 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone?
The InChIKey is YDZOBOJTSCDCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c20-8-15(23)12-6-13(16(24)9-21)18(14(7-12)17(25)10-22)19(26)11-4-2-1-3-5-11/h1-7,20-22H,8-10H2.
What are the key properties of 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone?
1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone has a molecular weight of 356.33 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzoyl-3,5-bis(2-hydroxyacetyl)phenyl]-2-hydroxyethanone is sourced from PubChem (CID 174566620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).