6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C17H15Br3 — CID 114374963

IUPAC6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESBrc1ccc(Br)c(C(Br)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H15Br3/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2
InChIKeyAYNUTZJCPILOSZ-UHFFFAOYSA-N
MW459.02 g/mol
LogP6.57
Rot. Bonds2

About 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 114374963) has the molecular formula C17H15Br3 and a molecular weight of 459.02 g/mol. Its IUPAC name is 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID114374963
Molecular FormulaC17H15Br3
Molecular Weight459.02 g/mol
Exact Mass455.87
IUPAC Name6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESBrc1ccc(Br)c(C(Br)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C17H15Br3/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2
InChIKeyAYNUTZJCPILOSZ-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.02
LogP ≤ 56.57
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

(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
6-[bromo-(2-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439529
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 107964594
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
6-[bromo-(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439446
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63438997

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 114374963) is 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Brc1ccc(Br)c(C(Br)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AYNUTZJCPILOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br3/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,17H,1-4H2.
What are the key properties of 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 459.02 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 114374963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).