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

C16H14O3 — CID 170872372

IUPAC(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
SMILESCOc1c(/C=C/C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-16-13(10-11-15(17)18)8-5-9-14(16)12-6-3-2-4-7-12/h2-11H,1H3,(H,17,18)/b11-10+
InChIKeyVKMNEBRLTRXUOX-ZHACJKMWSA-N
MW254.29 g/mol
LogP3.46
Rot. Bonds4

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

(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid (PubChem CID 170872372) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
PubChem CID170872372
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
SMILESCOc1c(/C=C/C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-16-13(10-11-15(17)18)8-5-9-14(16)12-6-3-2-4-7-12/h2-11H,1H3,(H,17,18)/b11-10+
InChIKeyVKMNEBRLTRXUOX-ZHACJKMWSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3-phenylphenyl)prop-2-enoic acid
CID 135366690
(E)-3-[2-(3-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872377
(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
CID 2431859
2-methoxy-1,3-diphenylbenzene
CID 23524590
(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872378
3-[2-methoxy-3-(methoxymethoxy)phenyl]prop-2-enoic acid
CID 69144413
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-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoic acid
CID 153427172
3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
CID 151863376
(E)-3-(3-methoxy-2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43471785

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid (CID 170872372) is (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid is COc1c(/C=C/C(=O)O)cccc1-c1ccccc1.
What is the InChIKey of (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid?
The InChIKey is VKMNEBRLTRXUOX-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-16-13(10-11-15(17)18)8-5-9-14(16)12-6-3-2-4-7-12/h2-11H,1H3,(H,17,18)/b11-10+.
What are the key properties of (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid?
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 170872372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).