(Z)-3-(2-phenylphenyl)prop-2-enoic acid

C15H12O2 — CID 19261531

IUPAC(Z)-3-(2-phenylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1ccccc1-c1ccccc1
InChIInChI=1S/C15H12O2/c16-15(17)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10-
InChIKeySEFDLRRKWPJXIR-KHPPLWFESA-N
MW224.26 g/mol
LogP3.45
Rot. Bonds3

About (Z)-3-(2-phenylphenyl)prop-2-enoic acid

(Z)-3-(2-phenylphenyl)prop-2-enoic acid (PubChem CID 19261531) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (Z)-3-(2-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-phenylphenyl)prop-2-enoic acid
PubChem CID19261531
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(Z)-3-(2-phenylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1ccccc1-c1ccccc1
InChIInChI=1S/C15H12O2/c16-15(17)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10-
InChIKeySEFDLRRKWPJXIR-KHPPLWFESA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
CID 135366690
(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
CID 22990266
sodium (E)-3-(2-phenylphenyl)prop-2-enoate
CID 171935641
(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
CID 175439123
(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872378
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372
3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
CID 151863376
(E)-3-[2-(3-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872377
1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
CID 141477153

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-phenylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-phenylphenyl)prop-2-enoic acid (CID 19261531) is (Z)-3-(2-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-phenylphenyl)prop-2-enoic acid is O=C(O)/C=C\c1ccccc1-c1ccccc1.
What is the InChIKey of (Z)-3-(2-phenylphenyl)prop-2-enoic acid?
The InChIKey is SEFDLRRKWPJXIR-KHPPLWFESA-N. The full InChI is InChI=1S/C15H12O2/c16-15(17)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-11H,(H,16,17)/b11-10-.
What are the key properties of (Z)-3-(2-phenylphenyl)prop-2-enoic acid?
(Z)-3-(2-phenylphenyl)prop-2-enoic acid has a molecular weight of 224.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 19261531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).