(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid

C16H14O2 — CID 135366690

IUPAC(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
SMILESCc1c(/C=C/C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C16H14O2/c1-12-13(10-11-16(17)18)8-5-9-15(12)14-6-3-2-4-7-14/h2-11H,1H3,(H,17,18)/b11-10+
InChIKeyMRYXJBALQLLKNV-ZHACJKMWSA-N
MW238.29 g/mol
LogP3.76
Rot. Bonds3

About (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid

(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid (PubChem CID 135366690) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
PubChem CID135366690
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
SMILESCc1c(/C=C/C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C16H14O2/c1-12-13(10-11-16(17)18)8-5-9-15(12)14-6-3-2-4-7-14/h2-11H,1H3,(H,17,18)/b11-10+
InChIKeyMRYXJBALQLLKNV-ZHACJKMWSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.76
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
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372
3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
CID 151863376
3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
CID 22990266
(E)-3-[2-(3-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872377
(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
CID 175439123
(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872378
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
(E)-3-[2-acetyl-3-(4-phenyl-1,3-thiazol-2-yl)phenyl]prop-2-enoic acid
CID 21296536
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid (CID 135366690) is (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid is Cc1c(/C=C/C(=O)O)cccc1-c1ccccc1.
What is the InChIKey of (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid?
The InChIKey is MRYXJBALQLLKNV-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14O2/c1-12-13(10-11-16(17)18)8-5-9-15(12)14-6-3-2-4-7-14/h2-11H,1H3,(H,17,18)/b11-10+.
What are the key properties of (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid?
(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid has a molecular weight of 238.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 135366690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).