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

C15H11ClO3 — CID 54161094

IUPAC3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(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
InChIKeyOOLMNZOGBQYPRK-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.65
Rot. Bonds3

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

3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one (PubChem CID 54161094) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
PubChem CID54161094
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(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
InChIKeyOOLMNZOGBQYPRK-UHFFFAOYSA-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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Related Compounds

(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
1-(2,5-dihydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 71334768
1-(2,5-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 69261993
(E)-3-(4-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 75539269
(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
CID 6081182
1-(2,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 3981090
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
1-(3-chloro-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one;3-(4-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 69448571
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
CID 11417320
(E)-1-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 14977361
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 5281222
3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 71821318

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one (CID 54161094) is 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one is O=C(C=Cc1ccc(Cl)cc1)c1cc(O)ccc1O.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one?
The InChIKey is OOLMNZOGBQYPRK-UHFFFAOYSA-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.
What are the key properties of 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one?
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 3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 54161094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).