1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione

C15H10ClFO3 — CID 776185

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione
SMILESO=C(CC(=O)c1cc(Cl)ccc1O)c1cccc(F)c1
InChIInChI=1S/C15H10ClFO3/c16-10-4-5-13(18)12(7-10)15(20)8-14(19)9-2-1-3-11(17)6-9/h1-7,18H,8H2
InChIKeyIAYZJBXKYNHXMK-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.64
Rot. Bonds4

About 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione

1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione (PubChem CID 776185) has the molecular formula C15H10ClFO3 and a molecular weight of 292.69 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione
PubChem CID776185
Molecular FormulaC15H10ClFO3
Molecular Weight292.69 g/mol
Exact Mass292.03
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione
SMILESO=C(CC(=O)c1cc(Cl)ccc1O)c1cccc(F)c1
InChIInChI=1S/C15H10ClFO3/c16-10-4-5-13(18)12(7-10)15(20)8-14(19)9-2-1-3-11(17)6-9/h1-7,18H,8H2
InChIKeyIAYZJBXKYNHXMK-UHFFFAOYSA-N
XLogP3.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
CID 873956
1-(5-chloro-2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 4530933
2-chloro-N-[2-(3-fluorophenyl)-2-oxoethyl]benzamide
CID 134123734
(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 1252914
N-(5-chloro-2-hydroxybenzoyl)-2,6-difluorobenzamide
CID 10244966
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099498
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione (CID 776185) is 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione is O=C(CC(=O)c1cc(Cl)ccc1O)c1cccc(F)c1.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione?
The InChIKey is IAYZJBXKYNHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO3/c16-10-4-5-13(18)12(7-10)15(20)8-14(19)9-2-1-3-11(17)6-9/h1-7,18H,8H2.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione?
1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione has a molecular weight of 292.69 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione is sourced from PubChem (CID 776185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).