4-(4-chlorobenzoyl)isochromen-1-one

C16H9ClO3 — CID 139052202

IUPAC4-(4-chlorobenzoyl)isochromen-1-one
SMILESO=C(c1ccc(Cl)cc1)c1coc(=O)c2ccccc12
InChIInChI=1S/C16H9ClO3/c17-11-7-5-10(6-8-11)15(18)14-9-20-16(19)13-4-2-1-3-12(13)14/h1-9H
InChIKeySCTUNOTUKBVDRK-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.68
Rot. Bonds2

About 4-(4-chlorobenzoyl)isochromen-1-one

4-(4-chlorobenzoyl)isochromen-1-one (PubChem CID 139052202) has the molecular formula C16H9ClO3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)isochromen-1-one.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)isochromen-1-one
PubChem CID139052202
Molecular FormulaC16H9ClO3
Molecular Weight284.70 g/mol
Exact Mass284.02
IUPAC Name4-(4-chlorobenzoyl)isochromen-1-one
SMILESO=C(c1ccc(Cl)cc1)c1coc(=O)c2ccccc12
InChIInChI=1S/C16H9ClO3/c17-11-7-5-10(6-8-11)15(18)14-9-20-16(19)13-4-2-1-3-12(13)14/h1-9H
InChIKeySCTUNOTUKBVDRK-UHFFFAOYSA-N
XLogP3.68
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylbenzoyl)isochromen-1-one
CID 71387247
N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide
CID 23941378
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone
CID 102107890
(4-chlorophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524484
N-(2-chloro-4-methylphenyl)-1-oxoisochromene-4-carboxamide
CID 4183425
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
CID 7126144
4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
CID 134910716
(4-chlorophenyl)-(1-hydroxy-9H-carbazol-2-yl)methanone
CID 139187068

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)isochromen-1-one?
The IUPAC name of 4-(4-chlorobenzoyl)isochromen-1-one (CID 139052202) is 4-(4-chlorobenzoyl)isochromen-1-one.
What is the SMILES notation for 4-(4-chlorobenzoyl)isochromen-1-one?
The canonical SMILES for 4-(4-chlorobenzoyl)isochromen-1-one is O=C(c1ccc(Cl)cc1)c1coc(=O)c2ccccc12.
What is the InChIKey of 4-(4-chlorobenzoyl)isochromen-1-one?
The InChIKey is SCTUNOTUKBVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClO3/c17-11-7-5-10(6-8-11)15(18)14-9-20-16(19)13-4-2-1-3-12(13)14/h1-9H.
What are the key properties of 4-(4-chlorobenzoyl)isochromen-1-one?
4-(4-chlorobenzoyl)isochromen-1-one has a molecular weight of 284.70 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)isochromen-1-one is sourced from PubChem (CID 139052202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).