5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid

C18H12O10 — CID 151883431

IUPAC5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)C(O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C18H12O10/c19-13(7-4-2-1-3-5-7)14(20)8-6-9(15(21)22)11(17(25)26)12(18(27)28)10(8)16(23)24/h1-6,13,19H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChIKeySPEXKQFYRMRZII-UHFFFAOYSA-N
MW388.28 g/mol
LogP1.40
Rot. Bonds7

About 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid

5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid (PubChem CID 151883431) has the molecular formula C18H12O10 and a molecular weight of 388.28 g/mol. Its IUPAC name is 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid
PubChem CID151883431
Molecular FormulaC18H12O10
Molecular Weight388.28 g/mol
Exact Mass388.04
IUPAC Name5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)C(O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C18H12O10/c19-13(7-4-2-1-3-5-7)14(20)8-6-9(15(21)22)11(17(25)26)12(18(27)28)10(8)16(23)24/h1-6,13,19H,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChIKeySPEXKQFYRMRZII-UHFFFAOYSA-N
XLogP1.40
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 51.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-1,2-diphenylethanone
CID 159399559
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]acetic acid
CID 69479306
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
CID 173228711
1-(2,3-dichlorophenyl)-2-hydroxy-2-phenylethanone
CID 21163872
2-hydroxy-1-[2-(methylamino)phenyl]-2-phenylethanone
CID 67016946
1-[2-(dimethylamino)phenyl]-2-hydroxy-2-phenylethanone
CID 18330797

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid (CID 151883431) is 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid is O=C(O)c1cc(C(=O)C(O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid?
The InChIKey is SPEXKQFYRMRZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O10/c19-13(7-4-2-1-3-5-7)14(20)8-6-9(15(21)22)11(17(25)26)12(18(27)28)10(8)16(23)24/h1-6,13,19H,(H,21,22)(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid?
5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid has a molecular weight of 388.28 g/mol, XLogP of 1.40, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 151883431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).