(E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid

C15H10Cl2O2 — CID 22990263

IUPAC(E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2O2/c16-13-7-5-11(9-14(13)17)12-4-2-1-3-10(12)6-8-15(18)19/h1-9H,(H,18,19)/b8-6+
InChIKeyZREIGNXVVJUIGY-SOFGYWHQSA-N
MW293.15 g/mol
LogP4.76
Rot. Bonds3

About (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid

(E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid (PubChem CID 22990263) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid
PubChem CID22990263
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name(E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2O2/c16-13-7-5-11(9-14(13)17)12-4-2-1-3-10(12)6-8-15(18)19/h1-9H,(H,18,19)/b8-6+
InChIKeyZREIGNXVVJUIGY-SOFGYWHQSA-N
XLogP4.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[2-(3,4-dichlorophenyl)phenyl]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

3,4-Dichlorocinnamic acid
CID 688027
(2z)-5-(4-Chlorophenyl)-3-Phenylpent-2-Enoic Acid
CID 44141940
(E)-3-[2-(3,4-Dichloro-benzyl)-phenyl]-acrylic acid
CID 10402929
(E)-3-[2-(2,4-Dichloro-benzyl)-phenyl]-acrylic acid
CID 44377464
(Z)-5-(2,4-Dichlorophenyl)-3-phenylpent-2-enoic Acid
CID 44219896
(Z)-5-(3,4-Dichlorophenyl)-3-phenylpent-2-enoic Acid
CID 44221122
(Z)-5-(3-chlorophenyl)-3-phenylpent-2-enoic acid
CID 44222817
trans-2,3-Dichlorocinnamic acid
CID 2063720
(E)-5-(4-Chlorophenyl)-3-phenylpent-2-enoic acid
CID 44141942
(E)-5-(3-chlorophenyl)-3-phenylpent-2-enoic acid
CID 44220901
(E)-5-(2,4-dichlorophenyl)-3-phenylpent-2-enoic acid
CID 44220903
(E)-5-(3,4-dichlorophenyl)-3-phenylpent-2-enoic acid
CID 44222821

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid (CID 22990263) is (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid?
The InChIKey is ZREIGNXVVJUIGY-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-13-7-5-11(9-14(13)17)12-4-2-1-3-10(12)6-8-15(18)19/h1-9H,(H,18,19)/b8-6+.
What are the key properties of (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid?
(E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid has a molecular weight of 293.15 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3,4-dichlorophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 22990263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).