2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene

C18H13BrCl2 — CID 63542887

IUPAC2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
SMILESClc1cccc(Cl)c1C(Br)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H13BrCl2/c19-15(18-16(20)6-3-7-17(18)21)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-10,15H,11H2
InChIKeyITOKGKLXYZXKGC-UHFFFAOYSA-N
MW380.11 g/mol
LogP6.83
Rot. Bonds3

About 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene

2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene (PubChem CID 63542887) has the molecular formula C18H13BrCl2 and a molecular weight of 380.11 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
PubChem CID63542887
Molecular FormulaC18H13BrCl2
Molecular Weight380.11 g/mol
Exact Mass377.96
IUPAC Name2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
SMILESClc1cccc(Cl)c1C(Br)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H13BrCl2/c19-15(18-16(20)6-3-7-17(18)21)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-10,15H,11H2
InChIKeyITOKGKLXYZXKGC-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.11
LogP ≤ 56.83
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-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
CID 63544103
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]naphthalene
CID 63543067
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 107965761
2-bromo-5-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 63544447
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
2-(2-chlorobutyl)naphthalene
CID 21490588
2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
CID 63520369
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene?
The IUPAC name of 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene (CID 63542887) is 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene.
What is the SMILES notation for 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene?
The canonical SMILES for 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene is Clc1cccc(Cl)c1C(Br)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene?
The InChIKey is ITOKGKLXYZXKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2/c19-15(18-16(20)6-3-7-17(18)21)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-10,15H,11H2.
What are the key properties of 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene?
2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene has a molecular weight of 380.11 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63542887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).