4-(4-bromobenzoyl)-2,3-dihydroinden-1-one

C16H11BrO2 — CID 13193100

IUPAC4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrO2/c17-11-6-4-10(5-7-11)16(19)14-3-1-2-13-12(14)8-9-15(13)18/h1-7H,8-9H2
InChIKeyFXQSFUWTNWFZFH-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.81
Rot. Bonds2

About 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one

4-(4-bromobenzoyl)-2,3-dihydroinden-1-one (PubChem CID 13193100) has the molecular formula C16H11BrO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
PubChem CID13193100
Molecular FormulaC16H11BrO2
Molecular Weight315.17 g/mol
Exact Mass313.99
IUPAC Name4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrO2/c17-11-6-4-10(5-7-11)16(19)14-3-1-2-13-12(14)8-9-15(13)18/h1-7H,8-9H2
InChIKeyFXQSFUWTNWFZFH-UHFFFAOYSA-N
XLogP3.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
CID 13193099
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390
(4-bromophenyl)-(9H-fluoren-4-yl)methanone
CID 71390046
4-(4-bromobenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile
CID 13059694
4-bromo-2,3-dihydroinden-1-one;methanamine
CID 174616015
(1-oxo-2,3-dihydroinden-4-yl) 5-bromo-2-fluorobenzoate
CID 33151772
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524602
2-[2-amino-3-(4-bromobenzoyl)phenyl]ethanethioic S-acid
CID 146639901

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one (CID 13193100) is 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one is O=C1CCc2c1cccc2C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one?
The InChIKey is FXQSFUWTNWFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2/c17-11-6-4-10(5-7-11)16(19)14-3-1-2-13-12(14)8-9-15(13)18/h1-7H,8-9H2.
What are the key properties of 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one?
4-(4-bromobenzoyl)-2,3-dihydroinden-1-one has a molecular weight of 315.17 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobenzoyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 13193100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).