acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid

C19H20O8 — CID 174788541

IUPACacetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.O=C(O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C14H10O4.C3H6O2.C2H4O2/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18;1-2-3(4)5;1-2(3)4/h1-8H,(H,15,16)(H,17,18);2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyOQPSTCMSVBUQOX-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.32
Rot. Bonds4

About acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid

acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid (PubChem CID 174788541) has the molecular formula C19H20O8 and a molecular weight of 376.36 g/mol. Its IUPAC name is acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid.

Molecular Properties

Compound Nameacetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
PubChem CID174788541
Molecular FormulaC19H20O8
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Nameacetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.O=C(O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C14H10O4.C3H6O2.C2H4O2/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18;1-2-3(4)5;1-2(3)4/h1-8H,(H,15,16)(H,17,18);2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyOQPSTCMSVBUQOX-UHFFFAOYSA-N
XLogP3.32
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-propanoylphenyl)benzoic acid
CID 15194783
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-aminobenzoic acid;propanoic acid
CID 67067565
acetic acid;benzoic acid;propanoic acid;hydrochloride
CID 70477052
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-(2-oxobutyl)benzoic acid
CID 12758327
2-(2-ethylthiophen-3-yl)benzoic acid
CID 141484344

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid?
The IUPAC name of acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid (CID 174788541) is acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid.
What is the SMILES notation for acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid?
The canonical SMILES for acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid is CC(=O)O.CCC(=O)O.O=C(O)c1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid?
The InChIKey is OQPSTCMSVBUQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.C3H6O2.C2H4O2/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18;1-2-3(4)5;1-2(3)4/h1-8H,(H,15,16)(H,17,18);2H2,1H3,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid?
acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid has a molecular weight of 376.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid is sourced from PubChem (CID 174788541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).