3-benzoyl-2,4,6-trihydroxybenzoic acid

C14H10O6 — CID 154360327

IUPAC3-benzoyl-2,4,6-trihydroxybenzoic acid
SMILESO=C(O)c1c(O)cc(O)c(C(=O)c2ccccc2)c1O
InChIInChI=1S/C14H10O6/c15-8-6-9(16)11(14(19)20)13(18)10(8)12(17)7-4-2-1-3-5-7/h1-6,15-16,18H,(H,19,20)
InChIKeyDIZTZSRMQCOUQR-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.73
Rot. Bonds3

About 3-benzoyl-2,4,6-trihydroxybenzoic acid

3-benzoyl-2,4,6-trihydroxybenzoic acid (PubChem CID 154360327) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-benzoyl-2,4,6-trihydroxybenzoic acid.

Molecular Properties

Compound Name3-benzoyl-2,4,6-trihydroxybenzoic acid
PubChem CID154360327
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name3-benzoyl-2,4,6-trihydroxybenzoic acid
SMILESO=C(O)c1c(O)cc(O)c(C(=O)c2ccccc2)c1O
InChIInChI=1S/C14H10O6/c15-8-6-9(16)11(14(19)20)13(18)10(8)12(17)7-4-2-1-3-5-7/h1-6,15-16,18H,(H,19,20)
InChIKeyDIZTZSRMQCOUQR-UHFFFAOYSA-N
XLogP1.73
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzene-1,2,4,5-tetrol;benzoic acid;formic acid
CID 173061475
zinc;4-benzoyl-2-carboxybenzene-1,3-diolate;3-benzoyl-2,6-dihydroxybenzoic acid
CID 102209801
diphenylmethanone
CID 3102
(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
CID 173228711

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2,4,6-trihydroxybenzoic acid?
The IUPAC name of 3-benzoyl-2,4,6-trihydroxybenzoic acid (CID 154360327) is 3-benzoyl-2,4,6-trihydroxybenzoic acid.
What is the SMILES notation for 3-benzoyl-2,4,6-trihydroxybenzoic acid?
The canonical SMILES for 3-benzoyl-2,4,6-trihydroxybenzoic acid is O=C(O)c1c(O)cc(O)c(C(=O)c2ccccc2)c1O.
What is the InChIKey of 3-benzoyl-2,4,6-trihydroxybenzoic acid?
The InChIKey is DIZTZSRMQCOUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-8-6-9(16)11(14(19)20)13(18)10(8)12(17)7-4-2-1-3-5-7/h1-6,15-16,18H,(H,19,20).
What are the key properties of 3-benzoyl-2,4,6-trihydroxybenzoic acid?
3-benzoyl-2,4,6-trihydroxybenzoic acid has a molecular weight of 274.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2,4,6-trihydroxybenzoic acid is sourced from PubChem (CID 154360327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).