(E)-3-(4-phenoxyphenyl)prop-2-enoic acid

C15H12O3 — CID 12636966

IUPAC(E)-3-(4-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H12O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
InChIKeyXWGDODCEQXQAFQ-DHZHZOJOSA-N
MW240.26 g/mol
LogP3.58
Rot. Bonds4

About (E)-3-(4-phenoxyphenyl)prop-2-enoic acid

(E)-3-(4-phenoxyphenyl)prop-2-enoic acid (PubChem CID 12636966) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (E)-3-(4-phenoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-phenoxyphenyl)prop-2-enoic acid
PubChem CID12636966
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(E)-3-(4-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H12O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
InChIKeyXWGDODCEQXQAFQ-DHZHZOJOSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-phenoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(4-phenoxyphenyl)prop-2-enoic acid (CID 12636966) is (E)-3-(4-phenoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-phenoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-phenoxyphenyl)prop-2-enoic acid is O=C(O)/C=C/c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-phenoxyphenyl)prop-2-enoic acid?
The InChIKey is XWGDODCEQXQAFQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+.
What are the key properties of (E)-3-(4-phenoxyphenyl)prop-2-enoic acid?
(E)-3-(4-phenoxyphenyl)prop-2-enoic acid has a molecular weight of 240.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-phenoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 12636966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).