1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene

C18H14BrCl — CID 63530424

IUPAC1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene
SMILESClc1cccc(CC(Br)c2cccc3ccccc23)c1
InChIInChI=1S/C18H14BrCl/c19-18(12-13-5-3-8-15(20)11-13)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12H2
InChIKeyHAVSCXXPIZFGAV-UHFFFAOYSA-N
MW345.67 g/mol
LogP6.17
Rot. Bonds3

About 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene

1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene (PubChem CID 63530424) has the molecular formula C18H14BrCl and a molecular weight of 345.67 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene
PubChem CID63530424
Molecular FormulaC18H14BrCl
Molecular Weight345.67 g/mol
Exact Mass344.00
IUPAC Name1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene
SMILESClc1cccc(CC(Br)c2cccc3ccccc23)c1
InChIInChI=1S/C18H14BrCl/c19-18(12-13-5-3-8-15(20)11-13)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12H2
InChIKeyHAVSCXXPIZFGAV-UHFFFAOYSA-N
XLogP6.17
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 ≤ 56.17
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-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentamethylbenzene
CID 63438087
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63529741
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105400119
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050200
2-(3-chlorophenyl)-1-isoquinolin-4-yl-N-methylethanamine
CID 63940548
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene?
The IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene (CID 63530424) is 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene is Clc1cccc(CC(Br)c2cccc3ccccc23)c1.
What is the InChIKey of 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene?
The InChIKey is HAVSCXXPIZFGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrCl/c19-18(12-13-5-3-8-15(20)11-13)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12H2.
What are the key properties of 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene?
1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene has a molecular weight of 345.67 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(3-chlorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63530424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).