2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene

C19H16BrCl — CID 115354481

IUPAC2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
SMILESCc1cccc(CC(Cl)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H16BrCl/c1-13-3-2-4-14(9-13)10-19(21)17-6-5-16-12-18(20)8-7-15(16)11-17/h2-9,11-12,19H,10H2,1H3
InChIKeyOCESHAHXQMBRCK-UHFFFAOYSA-N
MW359.69 g/mol
LogP6.43
Rot. Bonds3

About 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene

2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene (PubChem CID 115354481) has the molecular formula C19H16BrCl and a molecular weight of 359.69 g/mol. Its IUPAC name is 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
PubChem CID115354481
Molecular FormulaC19H16BrCl
Molecular Weight359.69 g/mol
Exact Mass358.01
IUPAC Name2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
SMILESCc1cccc(CC(Cl)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H16BrCl/c1-13-3-2-4-14(9-13)10-19(21)17-6-5-16-12-18(20)8-7-15(16)11-17/h2-9,11-12,19H,10H2,1H3
InChIKeyOCESHAHXQMBRCK-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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Related Compounds

1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-ethoxybenzene
CID 104661522
1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene
CID 63542515
2-[2-(3-bromophenyl)-2-chloroethyl]naphthalene
CID 63520369
1-butoxy-4-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 63543740
1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
CID 63542357
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
CID 113292793
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
The IUPAC name of 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene (CID 115354481) is 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
The canonical SMILES for 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene is Cc1cccc(CC(Cl)c2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
The InChIKey is OCESHAHXQMBRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl/c1-13-3-2-4-14(9-13)10-19(21)17-6-5-16-12-18(20)8-7-15(16)11-17/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene?
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]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 2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene is sourced from PubChem (CID 115354481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).