(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid

C15H11BrO2 — CID 22990266

IUPAC(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrO2/c16-13-6-3-5-12(10-13)14-7-2-1-4-11(14)8-9-15(17)18/h1-10H,(H,17,18)/b9-8+
InChIKeyBYWVJWSFRHDSEO-CMDGGOBGSA-N
MW303.16 g/mol
LogP4.21
Rot. Bonds3

About (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid

(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid (PubChem CID 22990266) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
PubChem CID22990266
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrO2/c16-13-6-3-5-12(10-13)14-7-2-1-4-11(14)8-9-15(17)18/h1-10H,(H,17,18)/b9-8+
InChIKeyBYWVJWSFRHDSEO-CMDGGOBGSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.21
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

(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
ethyl (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoate
CID 86585374
(E)-3-[2-(3-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872377
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-bromophenyl)prop-2-enoic acid
CID 688321
(E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one
CID 102120513
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
bis[2-(3-bromophenyl)phenyl]methanone
CID 54092576
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372
sodium (E)-3-(2-phenylphenyl)prop-2-enoate
CID 171935641
3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
CID 151863376

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid (CID 22990266) is (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccccc1-c1cccc(Br)c1.
What is the InChIKey of (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid?
The InChIKey is BYWVJWSFRHDSEO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-13-6-3-5-12(10-13)14-7-2-1-4-11(14)8-9-15(17)18/h1-10H,(H,17,18)/b9-8+.
What are the key properties of (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid?
(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid has a molecular weight of 303.16 g/mol, XLogP of 4.21, 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-bromophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 22990266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).