(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone

C16H12Br2O — CID 107979596

IUPAC(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H12Br2O/c17-14-7-13(8-15(18)9-14)16(19)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2
InChIKeyXPBQOQCTOKMKSP-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.93
Rot. Bonds2

About (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone

(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 107979596) has the molecular formula C16H12Br2O and a molecular weight of 380.08 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID107979596
Molecular FormulaC16H12Br2O
Molecular Weight380.08 g/mol
Exact Mass377.93
IUPAC Name(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H12Br2O/c17-14-7-13(8-15(18)9-14)16(19)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2
InChIKeyXPBQOQCTOKMKSP-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 107949659
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80532389
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43338923
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
CID 57251163

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (CID 107979596) is (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is O=C(c1cc(Br)cc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is XPBQOQCTOKMKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2O/c17-14-7-13(8-15(18)9-14)16(19)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2.
What are the key properties of (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 380.08 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 107979596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).