(E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one

C15H11ClO3 — CID 10356004

IUPAC(E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cc(O)ccc1O
InChIInChI=1S/C15H11ClO3/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,17,19H/b7-3+
InChIKeyOOLMNZOGBQYPRK-XVNBXDOJSA-N
MW274.70 g/mol
LogP3.65
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one (PubChem CID 10356004) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
PubChem CID10356004
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name(E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cc(O)ccc1O
InChIInChI=1S/C15H11ClO3/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,17,19H/b7-3+
InChIKeyOOLMNZOGBQYPRK-XVNBXDOJSA-N
XLogP3.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'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-(2,5-dihydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one (CID 10356004) is (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1)c1cc(O)ccc1O.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one?
The InChIKey is OOLMNZOGBQYPRK-XVNBXDOJSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,17,19H/b7-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one has a molecular weight of 274.70 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10356004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).