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

C16H14O3 — CID 11161124

IUPAC(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
SMILESCOc1ccc(-c2cccc(/C=C/C(=O)O)c2)cc1
InChIInChI=1S/C16H14O3/c1-19-15-8-6-13(7-9-15)14-4-2-3-12(11-14)5-10-16(17)18/h2-11H,1H3,(H,17,18)/b10-5+
InChIKeyOCVIHJDHTVCIEY-BJMVGYQFSA-N
MW254.28 g/mol
LogP3.46
Rot. Bonds4

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

(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid (PubChem CID 11161124) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
PubChem CID11161124
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
SMILESCOc1ccc(-c2cccc(/C=C/C(=O)O)c2)cc1
InChIInChI=1S/C16H14O3/c1-19-15-8-6-13(7-9-15)14-4-2-3-12(11-14)5-10-16(17)18/h2-11H,1H3,(H,17,18)/b10-5+
InChIKeyOCVIHJDHTVCIEY-BJMVGYQFSA-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 ≤ 500254.28
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

3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 54322707
(E)-3-[3-(3-methylphenyl)phenyl]prop-2-enoic acid
CID 87253241
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
butyl (E)-3-[3-(3-methoxyphenyl)phenyl]prop-2-enoate
CID 102391690
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
(E)-3-[3-[5-amino-6-(4-methoxyanilino)pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 69271811
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 159561023
(E)-1-[4-(4-methoxyphenyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one
CID 139061935
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid (CID 11161124) is (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid is COc1ccc(-c2cccc(/C=C/C(=O)O)c2)cc1.
What is the InChIKey of (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The InChIKey is OCVIHJDHTVCIEY-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-15-8-6-13(7-9-15)14-4-2-3-12(11-14)5-10-16(17)18/h2-11H,1H3,(H,17,18)/b10-5+.
What are the key properties of (E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid has a molecular weight of 254.28 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-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 11161124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).