3-(2-phenoxyphenyl)prop-2-enoic acid

C15H12O3 — CID 737422

IUPAC3-(2-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H12O3/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H,(H,16,17)
InChIKeySDXHWGNPWXDXTC-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.58
Rot. Bonds4

About 3-(2-phenoxyphenyl)prop-2-enoic acid

3-(2-phenoxyphenyl)prop-2-enoic acid (PubChem CID 737422) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2-phenoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-phenoxyphenyl)prop-2-enoic acid
PubChem CID737422
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-(2-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C15H12O3/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H,(H,16,17)
InChIKeySDXHWGNPWXDXTC-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-phenoxyphenyl)prop-2-enoic 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

(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 5399136
3-[2-(4-methylphenoxy)phenyl]prop-2-enoic acid
CID 737486
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
CID 57198834
3-[2-(2-chloro-4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 76886621
(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid
CID 175089680
(E)-3-[3-(4-iodophenoxy)-2-(4-iodophenyl)phenyl]prop-2-enoic acid
CID 175349969
(E)-3-(2-pentan-3-yloxyphenyl)prop-2-enoic acid
CID 69342004
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(2-phenoxyphenyl)prop-2-enoic acid (CID 737422) is 3-(2-phenoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2-phenoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2-phenoxyphenyl)prop-2-enoic acid is O=C(O)C=Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-(2-phenoxyphenyl)prop-2-enoic acid?
The InChIKey is SDXHWGNPWXDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H,(H,16,17).
What are the key properties of 3-(2-phenoxyphenyl)prop-2-enoic acid?
3-(2-phenoxyphenyl)prop-2-enoic acid has a molecular weight of 240.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 737422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).