2-(3-chlorobenzoyl)indene-1,3-dione

C16H9ClO3 — CID 22648334

IUPAC2-(3-chlorobenzoyl)indene-1,3-dione
SMILESO=C(c1cccc(Cl)c1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H9ClO3/c17-10-5-3-4-9(8-10)14(18)13-15(19)11-6-1-2-7-12(11)16(13)20/h1-8,13H
InChIKeyIUBMPRVDSFYURK-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.22
Rot. Bonds2

About 2-(3-chlorobenzoyl)indene-1,3-dione

2-(3-chlorobenzoyl)indene-1,3-dione (PubChem CID 22648334) has the molecular formula C16H9ClO3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-(3-chlorobenzoyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(3-chlorobenzoyl)indene-1,3-dione
PubChem CID22648334
Molecular FormulaC16H9ClO3
Molecular Weight284.70 g/mol
Exact Mass284.02
IUPAC Name2-(3-chlorobenzoyl)indene-1,3-dione
SMILESO=C(c1cccc(Cl)c1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H9ClO3/c17-10-5-3-4-9(8-10)14(18)13-15(19)11-6-1-2-7-12(11)16(13)20/h1-8,13H
InChIKeyIUBMPRVDSFYURK-UHFFFAOYSA-N
XLogP3.22
TPSA51.21 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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorobenzoyl)-2-methyl-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
CID 91498228
benzoic acid;3-chlorobenzoic acid
CID 162034638
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
CID 114964124
S-chloro 3-chlorobenzenecarbothioate
CID 13107760
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide
CID 91678852
2-hydroxyindene-1,3-dione
CID 10219583
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
azane;3-chlorobenzenecarboperoxoic acid
CID 86637115
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
CID 105082691

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorobenzoyl)indene-1,3-dione?
The IUPAC name of 2-(3-chlorobenzoyl)indene-1,3-dione (CID 22648334) is 2-(3-chlorobenzoyl)indene-1,3-dione.
What is the SMILES notation for 2-(3-chlorobenzoyl)indene-1,3-dione?
The canonical SMILES for 2-(3-chlorobenzoyl)indene-1,3-dione is O=C(c1cccc(Cl)c1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3-chlorobenzoyl)indene-1,3-dione?
The InChIKey is IUBMPRVDSFYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClO3/c17-10-5-3-4-9(8-10)14(18)13-15(19)11-6-1-2-7-12(11)16(13)20/h1-8,13H.
What are the key properties of 2-(3-chlorobenzoyl)indene-1,3-dione?
2-(3-chlorobenzoyl)indene-1,3-dione has a molecular weight of 284.70 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorobenzoyl)indene-1,3-dione is sourced from PubChem (CID 22648334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).