2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid

C16H12O4 — CID 127260328

IUPAC2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H12O4/c17-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)16(19)20/h1-10,17H,(H,19,20)/b10-7+
InChIKeyZMSLSIMZGASABD-JXMROGBWSA-N
MW268.27 g/mol
LogP2.99
Rot. Bonds4

About 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid

2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid (PubChem CID 127260328) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid
PubChem CID127260328
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H12O4/c17-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)16(19)20/h1-10,17H,(H,19,20)/b10-7+
InChIKeyZMSLSIMZGASABD-JXMROGBWSA-N
XLogP2.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic 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

1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792
N-[2-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 175343363
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
2-[3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid
CID 54238934
4-(3-phenylprop-2-enoyl)naphthalene-1-carboxylic acid
CID 70207100
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 151077564
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
CID 142713013
4-[(E)-3-phenylprop-2-enoyl]naphthalene-1,8-dicarboxylic acid
CID 11359948

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid?
The IUPAC name of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid (CID 127260328) is 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid.
What is the SMILES notation for 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid?
The canonical SMILES for 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid is O=C(O)c1ccccc1C(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid?
The InChIKey is ZMSLSIMZGASABD-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12O4/c17-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)16(19)20/h1-10,17H,(H,19,20)/b10-7+.
What are the key properties of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid?
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid is sourced from PubChem (CID 127260328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).