2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene

C18H14BrCl — CID 63520369

IUPAC2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
SMILESClC(Cc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C18H14BrCl/c19-17-7-3-6-16(12-17)18(20)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12,18H,11H2
InChIKeyRYAJQQPVOWEDTK-UHFFFAOYSA-N
MW345.67 g/mol
LogP6.12
Rot. Bonds3

About 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene

2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene (PubChem CID 63520369) has the molecular formula C18H14BrCl and a molecular weight of 345.67 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
PubChem CID63520369
Molecular FormulaC18H14BrCl
Molecular Weight345.67 g/mol
Exact Mass344.00
IUPAC Name2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
SMILESClC(Cc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C18H14BrCl/c19-17-7-3-6-16(12-17)18(20)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12,18H,11H2
InChIKeyRYAJQQPVOWEDTK-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.67
LogP ≤ 56.12
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

1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene
CID 63542515
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
1-bromo-3-[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 63430706
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
2-(2-chlorobutyl)naphthalene
CID 21490588
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
CID 63528397
1-bromo-3-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]benzene
CID 63432687
2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
CID 63544103
2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
CID 63542887
3-bromo-N-(naphthalen-2-ylmethyl)aniline
CID 28555096

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene?
The IUPAC name of 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene (CID 63520369) is 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene.
What is the SMILES notation for 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene?
The canonical SMILES for 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene is ClC(Cc1ccc2ccccc2c1)c1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene?
The InChIKey is RYAJQQPVOWEDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrCl/c19-17-7-3-6-16(12-17)18(20)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12,18H,11H2.
What are the key properties of 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene?
2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene has a molecular weight of 345.67 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene is sourced from PubChem (CID 63520369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).