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

C15H11ClO2 — CID 5372946

IUPAC(E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C15H11ClO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H/b10-7+
InChIKeyZKBILMWSVPPRAT-JXMROGBWSA-N
MW258.70 g/mol
LogP3.94
Rot. Bonds3

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

(E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 5372946) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID5372946
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name(E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C15H11ClO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H/b10-7+
InChIKeyZKBILMWSVPPRAT-JXMROGBWSA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.94
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-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one (CID 5372946) is (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1O.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is ZKBILMWSVPPRAT-JXMROGBWSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H/b10-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 258.70 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5372946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).