2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene

C17H11Br2Cl — CID 115354314

IUPAC2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene
SMILESClC(c1ccc(Br)cc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H11Br2Cl/c18-15-6-3-11(4-7-15)17(20)14-2-1-13-10-16(19)8-5-12(13)9-14/h1-10,17H
InChIKeyHDXZQRRELBDNGD-UHFFFAOYSA-N
MW410.54 g/mol
LogP6.69
Rot. Bonds2

About 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene

2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene (PubChem CID 115354314) has the molecular formula C17H11Br2Cl and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene
PubChem CID115354314
Molecular FormulaC17H11Br2Cl
Molecular Weight410.54 g/mol
Exact Mass407.89
IUPAC Name2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene
SMILESClC(c1ccc(Br)cc1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H11Br2Cl/c18-15-6-3-11(4-7-15)17(20)14-2-1-13-10-16(19)8-5-12(13)9-14/h1-10,17H
InChIKeyHDXZQRRELBDNGD-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 56.69
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-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene
CID 115354369
2,6-dibromonaphthalene
CID 640591
2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
CID 63443947
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
CID 107955839
1-bromo-4-[chloro-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63428597
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
CID 113292793
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene?
The IUPAC name of 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene (CID 115354314) is 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene?
The canonical SMILES for 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene is ClC(c1ccc(Br)cc1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene?
The InChIKey is HDXZQRRELBDNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2Cl/c18-15-6-3-11(4-7-15)17(20)14-2-1-13-10-16(19)8-5-12(13)9-14/h1-10,17H.
What are the key properties of 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene?
2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene has a molecular weight of 410.54 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene is sourced from PubChem (CID 115354314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).