1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione

C15H11ClO4 — CID 52916523

IUPAC1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
SMILESO=C(CC(=O)c1ccccc1Cl)c1ccc(O)cc1O
InChIInChI=1S/C15H11ClO4/c16-12-4-2-1-3-10(12)14(19)8-15(20)11-6-5-9(17)7-13(11)18/h1-7,17-18H,8H2
InChIKeyPTWPVSYFRKZPNM-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione

1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione (PubChem CID 52916523) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
PubChem CID52916523
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
SMILESO=C(CC(=O)c1ccccc1Cl)c1ccc(O)cc1O
InChIInChI=1S/C15H11ClO4/c16-12-4-2-1-3-10(12)14(19)8-15(20)11-6-5-9(17)7-13(11)18/h1-7,17-18H,8H2
InChIKeyPTWPVSYFRKZPNM-UHFFFAOYSA-N
XLogP3.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 800932
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648810
4-(2-chloro-4-hydroxyphenyl)-2,4-dioxobutanoic acid
CID 91006990
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870817
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
CID 110614901
2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 4746417

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione (CID 52916523) is 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione is O=C(CC(=O)c1ccccc1Cl)c1ccc(O)cc1O.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione?
The InChIKey is PTWPVSYFRKZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c16-12-4-2-1-3-10(12)14(19)8-15(20)11-6-5-9(17)7-13(11)18/h1-7,17-18H,8H2.
What are the key properties of 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione?
1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione has a molecular weight of 290.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione is sourced from PubChem (CID 52916523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).