3-acetyl-2-(4-chlorophenyl)chromen-4-one

C17H11ClO3 — CID 5272640

IUPAC3-acetyl-2-(4-chlorophenyl)chromen-4-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O
InChIInChI=1S/C17H11ClO3/c1-10(19)15-16(20)13-4-2-3-5-14(13)21-17(15)11-6-8-12(18)9-7-11/h2-9H,1H3
InChIKeyBXPDUZDGQIPTCQ-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.32
Rot. Bonds2

About 3-acetyl-2-(4-chlorophenyl)chromen-4-one

3-acetyl-2-(4-chlorophenyl)chromen-4-one (PubChem CID 5272640) has the molecular formula C17H11ClO3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-acetyl-2-(4-chlorophenyl)chromen-4-one.

Molecular Properties

Compound Name3-acetyl-2-(4-chlorophenyl)chromen-4-one
PubChem CID5272640
Molecular FormulaC17H11ClO3
Molecular Weight298.73 g/mol
Exact Mass298.04
IUPAC Name3-acetyl-2-(4-chlorophenyl)chromen-4-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O
InChIInChI=1S/C17H11ClO3/c1-10(19)15-16(20)13-4-2-3-5-14(13)21-17(15)11-6-8-12(18)9-7-11/h2-9H,1H3
InChIKeyBXPDUZDGQIPTCQ-UHFFFAOYSA-N
XLogP4.32
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
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3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
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6-bromo-2-(4-chlorophenyl)-4-oxochromene-3-carboxylic acid
CID 138562057
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
CID 14791371
(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
CID 2752530
1-(4-chlorophenyl)xanthen-9-one
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2-(4-hydroxyphenyl)-3-methylchromen-4-one
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2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
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[2-(4-chlorophenyl)-4-oxochromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate
CID 4190669

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-chlorophenyl)chromen-4-one?
The IUPAC name of 3-acetyl-2-(4-chlorophenyl)chromen-4-one (CID 5272640) is 3-acetyl-2-(4-chlorophenyl)chromen-4-one.
What is the SMILES notation for 3-acetyl-2-(4-chlorophenyl)chromen-4-one?
The canonical SMILES for 3-acetyl-2-(4-chlorophenyl)chromen-4-one is CC(=O)c1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O.
What is the InChIKey of 3-acetyl-2-(4-chlorophenyl)chromen-4-one?
The InChIKey is BXPDUZDGQIPTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO3/c1-10(19)15-16(20)13-4-2-3-5-14(13)21-17(15)11-6-8-12(18)9-7-11/h2-9H,1H3.
What are the key properties of 3-acetyl-2-(4-chlorophenyl)chromen-4-one?
3-acetyl-2-(4-chlorophenyl)chromen-4-one has a molecular weight of 298.73 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-chlorophenyl)chromen-4-one is sourced from PubChem (CID 5272640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).