1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene

C18H14BrCl — CID 63543264

IUPAC1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
SMILESClc1ccc(C(Br)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H14BrCl/c19-18(14-8-10-16(20)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11,18H,12H2
InChIKeyCRFQTINELKOSGN-UHFFFAOYSA-N
MW345.67 g/mol
LogP6.17
Rot. Bonds3

About 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene

1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene (PubChem CID 63543264) has the molecular formula C18H14BrCl and a molecular weight of 345.67 g/mol. Its IUPAC name is 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
PubChem CID63543264
Molecular FormulaC18H14BrCl
Molecular Weight345.67 g/mol
Exact Mass344.00
IUPAC Name1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
SMILESClc1ccc(C(Br)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H14BrCl/c19-18(14-8-10-16(20)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11,18H,12H2
InChIKeyCRFQTINELKOSGN-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-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965768
1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
CID 63418657
2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
CID 106856014
1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
CID 63544130
1-(2-chloropropyl)naphthalene
CID 12809422
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-[2-chloro-2-(5-chloro-2-fluorophenyl)ethyl]naphthalene
CID 63519535

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene (CID 63543264) is 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene is Clc1ccc(C(Br)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene?
The InChIKey is CRFQTINELKOSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrCl/c19-18(14-8-10-16(20)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11,18H,12H2.
What are the key properties of 1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene?
1-[2-bromo-2-(4-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-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene is sourced from PubChem (CID 63543264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).