5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene

C17H16Br2 — CID 81476485

IUPAC5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1Br
InChIInChI=1S/C17H16Br2/c1-11-5-6-15(10-16(11)18)17(19)14-8-7-12-3-2-4-13(12)9-14/h5-10,17H,2-4H2,1H3
InChIKeyFSGCCBLPUPFOGT-UHFFFAOYSA-N
MW380.12 g/mol
LogP5.73
Rot. Bonds2

About 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene

5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 81476485) has the molecular formula C17H16Br2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID81476485
Molecular FormulaC17H16Br2
Molecular Weight380.12 g/mol
Exact Mass377.96
IUPAC Name5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1Br
InChIInChI=1S/C17H16Br2/c1-11-5-6-15(10-16(11)18)17(19)14-8-7-12-3-2-4-13(12)9-14/h5-10,17H,2-4H2,1H3
InChIKeyFSGCCBLPUPFOGT-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
2-bromo-4-[bromo-(4-bromophenyl)methyl]-1-methylbenzene
CID 81476813
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81473689
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63438997
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 81476485) is 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene is Cc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1Br.
What is the InChIKey of 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is FSGCCBLPUPFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2/c1-11-5-6-15(10-16(11)18)17(19)14-8-7-12-3-2-4-13(12)9-14/h5-10,17H,2-4H2,1H3.
What are the key properties of 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 380.12 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 81476485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).