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

C16H14O3 — CID 5348419

IUPAC(E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14O3/c1-19-16-5-3-2-4-13(16)8-11-15(18)12-6-9-14(17)10-7-12/h2-11,17H,1H3/b11-8+
InChIKeyKYAPKYXQCLBRIU-DHZHZOJOSA-N
MW254.29 g/mol
LogP3.30
Rot. Bonds4

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

(E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 5348419) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID5348419
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14O3/c1-19-16-5-3-2-4-13(16)8-11-15(18)12-6-9-14(17)10-7-12/h2-11,17H,1H3/b11-8+
InChIKeyKYAPKYXQCLBRIU-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 ≤ 500254.29
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-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one (CID 5348419) is (E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one is COc1ccccc1/C=C/C(=O)c1ccc(O)cc1.
What is the InChIKey of (E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is KYAPKYXQCLBRIU-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-16-5-3-2-4-13(16)8-11-15(18)12-6-9-14(17)10-7-12/h2-11,17H,1H3/b11-8+.
What are the key properties of (E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
(E)-1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 254.29 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-(4-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5348419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).