2-benzoyl-4,6-dihydroxybenzaldehyde

C14H10O4 — CID 21197183

IUPAC2-benzoyl-4,6-dihydroxybenzaldehyde
SMILESO=Cc1c(O)cc(O)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10O4/c15-8-12-11(6-10(16)7-13(12)17)14(18)9-4-2-1-3-5-9/h1-8,16-17H
InChIKeyDACWQNLNOKVCAQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.14
Rot. Bonds3

About 2-benzoyl-4,6-dihydroxybenzaldehyde

2-benzoyl-4,6-dihydroxybenzaldehyde (PubChem CID 21197183) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-benzoyl-4,6-dihydroxybenzaldehyde.

Molecular Properties

Compound Name2-benzoyl-4,6-dihydroxybenzaldehyde
PubChem CID21197183
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name2-benzoyl-4,6-dihydroxybenzaldehyde
SMILESO=Cc1c(O)cc(O)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H10O4/c15-8-12-11(6-10(16)7-13(12)17)14(18)9-4-2-1-3-5-9/h1-8,16-17H
InChIKeyDACWQNLNOKVCAQ-UHFFFAOYSA-N
XLogP2.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

actinium;2,4,6-trihydroxybenzaldehyde
CID 23534158
(3-benzoyloxy-4-formyl-5-hydroxyphenyl) benzoate
CID 131871766
CID 175499515
CID 175499515
CID 172864174
CID 172864174
2,3-dibenzoylbenzaldehyde
CID 54496315
(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethanone
CID 15262738
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
diphenylmethanone
CID 3102
(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
CID 11277063

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4,6-dihydroxybenzaldehyde?
The IUPAC name of 2-benzoyl-4,6-dihydroxybenzaldehyde (CID 21197183) is 2-benzoyl-4,6-dihydroxybenzaldehyde.
What is the SMILES notation for 2-benzoyl-4,6-dihydroxybenzaldehyde?
The canonical SMILES for 2-benzoyl-4,6-dihydroxybenzaldehyde is O=Cc1c(O)cc(O)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-4,6-dihydroxybenzaldehyde?
The InChIKey is DACWQNLNOKVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-8-12-11(6-10(16)7-13(12)17)14(18)9-4-2-1-3-5-9/h1-8,16-17H.
What are the key properties of 2-benzoyl-4,6-dihydroxybenzaldehyde?
2-benzoyl-4,6-dihydroxybenzaldehyde has a molecular weight of 242.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4,6-dihydroxybenzaldehyde is sourced from PubChem (CID 21197183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).