1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one

C15H11ClO3 — CID 174535088

IUPAC1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cc(O)c(Cl)cc1O
InChIInChI=1S/C15H11ClO3/c16-12-9-14(18)11(8-15(12)19)13(17)7-6-10-4-2-1-3-5-10/h1-9,18-19H
InChIKeyCMXBLVZJSGLQIK-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.65
Rot. Bonds3

About 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one

1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 174535088) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID174535088
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cc(O)c(Cl)cc1O
InChIInChI=1S/C15H11ClO3/c16-12-9-14(18)11(8-15(12)19)13(17)7-6-10-4-2-1-3-5-10/h1-9,18-19H
InChIKeyCMXBLVZJSGLQIK-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

(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
1-(4,5-dichloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 54190912
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 168806063
(E)-1-(5-chloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 146005953
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 151077564
(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 70236184
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one (CID 174535088) is 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cc(O)c(Cl)cc1O.
What is the InChIKey of 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is CMXBLVZJSGLQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-12-9-14(18)11(8-15(12)19)13(17)7-6-10-4-2-1-3-5-10/h1-9,18-19H.
What are the key properties of 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-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 1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 174535088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).