4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid

C19H14O8 — CID 88674867

IUPAC4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid
SMILESC=CCOC(=O)c1cc(-c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C19H14O8/c1-2-8-27-19(26)12-9-11(10-6-4-3-5-7-10)13(16(20)21)15(18(24)25)14(12)17(22)23/h2-7,9H,1,8H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeyHTWPFVOBZLCHKN-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.79
Rot. Bonds7

About 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid

4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid (PubChem CID 88674867) has the molecular formula C19H14O8 and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid
PubChem CID88674867
Molecular FormulaC19H14O8
Molecular Weight370.31 g/mol
Exact Mass370.07
IUPAC Name4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid
SMILESC=CCOC(=O)c1cc(-c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C19H14O8/c1-2-8-27-19(26)12-9-11(10-6-4-3-5-7-10)13(16(20)21)15(18(24)25)14(12)17(22)23/h2-7,9H,1,8H2,(H,20,21)(H,22,23)(H,24,25)
InChIKeyHTWPFVOBZLCHKN-UHFFFAOYSA-N
XLogP2.79
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic 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

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
prop-2-enyl 3-phenylbenzoate
CID 22594829
4-(4-carboxy-3-prop-2-enoxycarbonylphenyl)-2-prop-2-enoxycarbonylbenzoic acid
CID 139690927
5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 139991262
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
4-amino-2-prop-2-enoxycarbonylbenzoic acid
CID 54562538
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid?
The IUPAC name of 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid (CID 88674867) is 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid.
What is the SMILES notation for 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid?
The canonical SMILES for 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid is C=CCOC(=O)c1cc(-c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid?
The InChIKey is HTWPFVOBZLCHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O8/c1-2-8-27-19(26)12-9-11(10-6-4-3-5-7-10)13(16(20)21)15(18(24)25)14(12)17(22)23/h2-7,9H,1,8H2,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid?
4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid has a molecular weight of 370.31 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 88674867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).