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

C16H14Br2 — CID 63439245

IUPAC5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
SMILESBrc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H14Br2/c17-15-8-6-12(7-9-15)16(18)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2
InChIKeyDSFHOBCUOZXFLY-UHFFFAOYSA-N
MW366.10 g/mol
LogP5.42
Rot. Bonds2

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

5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63439245) has the molecular formula C16H14Br2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63439245
Molecular FormulaC16H14Br2
Molecular Weight366.10 g/mol
Exact Mass363.95
IUPAC Name5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
SMILESBrc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H14Br2/c17-15-8-6-12(7-9-15)16(18)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2
InChIKeyDSFHOBCUOZXFLY-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.42
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

5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114374963
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
CID 63440446
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 107964594
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-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene (CID 63439245) is 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene is Brc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is DSFHOBCUOZXFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2/c17-15-8-6-12(7-9-15)16(18)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2.
What are the key properties of 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 366.10 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63439245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).