2-formyl-3-(2-formylbenzoyl)oxybenzoic acid

C16H10O6 — CID 54082048

IUPAC2-formyl-3-(2-formylbenzoyl)oxybenzoic acid
SMILESO=Cc1ccccc1C(=O)Oc1cccc(C(=O)O)c1C=O
InChIInChI=1S/C16H10O6/c17-8-10-4-1-2-5-11(10)16(21)22-14-7-3-6-12(15(19)20)13(14)9-18/h1-9H,(H,19,20)
InChIKeyMNUUGAJWUNPWCX-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.23
Rot. Bonds5

About 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid

2-formyl-3-(2-formylbenzoyl)oxybenzoic acid (PubChem CID 54082048) has the molecular formula C16H10O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name2-formyl-3-(2-formylbenzoyl)oxybenzoic acid
PubChem CID54082048
Molecular FormulaC16H10O6
Molecular Weight298.25 g/mol
Exact Mass298.05
IUPAC Name2-formyl-3-(2-formylbenzoyl)oxybenzoic acid
SMILESO=Cc1ccccc1C(=O)Oc1cccc(C(=O)O)c1C=O
InChIInChI=1S/C16H10O6/c17-8-10-4-1-2-5-11(10)16(21)22-14-7-3-6-12(15(19)20)13(14)9-18/h1-9H,(H,19,20)
InChIKeyMNUUGAJWUNPWCX-UHFFFAOYSA-N
XLogP2.23
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

anthracen-1-yl 2-formylbenzoate
CID 141425213
2-formylbenzoic acid;methoxymethane
CID 90858085
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
(2-formylphenyl) 2-propoxybenzoate
CID 23011742
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
1,8-diformylnaphthalene-2-carboxylic acid
CID 87507167
aluminum tris(2-carboxy-6-formylphenolate)
CID 173060925
3-formyl-2-iodobenzoic acid
CID 71422161
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
3-formyl-2-(2-formylphenyl)benzoic acid
CID 87124248
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
CID 129189954
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654

Frequently Asked Questions

What is the IUPAC name of 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid?
The IUPAC name of 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid (CID 54082048) is 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid.
What is the SMILES notation for 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid?
The canonical SMILES for 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid is O=Cc1ccccc1C(=O)Oc1cccc(C(=O)O)c1C=O.
What is the InChIKey of 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid?
The InChIKey is MNUUGAJWUNPWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O6/c17-8-10-4-1-2-5-11(10)16(21)22-14-7-3-6-12(15(19)20)13(14)9-18/h1-9H,(H,19,20).
What are the key properties of 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid?
2-formyl-3-(2-formylbenzoyl)oxybenzoic acid has a molecular weight of 298.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-3-(2-formylbenzoyl)oxybenzoic acid is sourced from PubChem (CID 54082048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).