(E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

C16H14O3 — CID 5331295

IUPAC(E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+
InChIKeyNXBNYUSXDBHELA-DHZHZOJOSA-N
MW254.28 g/mol
LogP3.30
Rot. Bonds4

About (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 5331295) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID5331295
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+
InChIKeyNXBNYUSXDBHELA-DHZHZOJOSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 5331295) is (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccccc2O)cc1.
What is the InChIKey of (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is NXBNYUSXDBHELA-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+.
What are the key properties of (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5331295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).