1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione

C15H11ClO3 — CID 724088

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-11-6-7-13(17)12(8-11)15(19)9-14(18)10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyVOVLKGWYQQCQHB-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.50
Rot. Bonds4

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

1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione (PubChem CID 724088) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
PubChem CID724088
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-11-6-7-13(17)12(8-11)15(19)9-14(18)10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKeyVOVLKGWYQQCQHB-UHFFFAOYSA-N
XLogP3.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione (CID 724088) is 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione is O=C(CC(=O)c1cc(Cl)ccc1O)c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
The InChIKey is VOVLKGWYQQCQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-11-6-7-13(17)12(8-11)15(19)9-14(18)10-4-2-1-3-5-10/h1-8,17H,9H2.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione?
1-(5-chloro-2-hydroxyphenyl)-3-phenylpropane-1,3-dione has a molecular weight of 274.70 g/mol, XLogP of 3.50, 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-phenylpropane-1,3-dione is sourced from PubChem (CID 724088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).