1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene

C19H16BrCl — CID 107983852

IUPAC1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
SMILESCc1cccc(C(Cl)Cc2cccc3ccccc23)c1Br
InChIInChI=1S/C19H16BrCl/c1-13-6-4-11-17(19(13)20)18(21)12-15-9-5-8-14-7-2-3-10-16(14)15/h2-11,18H,12H2,1H3
InChIKeyKJVGNSAQUSFAOQ-UHFFFAOYSA-N
MW359.69 g/mol
LogP6.43
Rot. Bonds3

About 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene

1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene (PubChem CID 107983852) has the molecular formula C19H16BrCl and a molecular weight of 359.69 g/mol. Its IUPAC name is 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene.

Molecular Properties

Compound Name1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
PubChem CID107983852
Molecular FormulaC19H16BrCl
Molecular Weight359.69 g/mol
Exact Mass358.01
IUPAC Name1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene
SMILESCc1cccc(C(Cl)Cc2cccc3ccccc23)c1Br
InChIInChI=1S/C19H16BrCl/c1-13-6-4-11-17(19(13)20)18(21)12-15-9-5-8-14-7-2-3-10-16(14)15/h2-11,18H,12H2,1H3
InChIKeyKJVGNSAQUSFAOQ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.69
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene?
The IUPAC name of 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene (CID 107983852) is 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene.
What is the SMILES notation for 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene?
The canonical SMILES for 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene is Cc1cccc(C(Cl)Cc2cccc3ccccc23)c1Br.
What is the InChIKey of 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene?
The InChIKey is KJVGNSAQUSFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl/c1-13-6-4-11-17(19(13)20)18(21)12-15-9-5-8-14-7-2-3-10-16(14)15/h2-11,18H,12H2,1H3.
What are the key properties of 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene?
1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene has a molecular weight of 359.69 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-3-methylphenyl)-2-chloroethyl]naphthalene is sourced from PubChem (CID 107983852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).