1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene

C19H16BrCl — CID 82874592

IUPAC1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
SMILESCc1ccc(Cl)cc1C(Br)c1c(C)ccc2ccccc12
InChIInChI=1S/C19H16BrCl/c1-12-8-10-15(21)11-17(12)19(20)18-13(2)7-9-14-5-3-4-6-16(14)18/h3-11,19H,1-2H3
InChIKeyKBZAVBDMUAMLIS-UHFFFAOYSA-N
MW359.69 g/mol
LogP6.59
Rot. Bonds2

About 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene

1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene (PubChem CID 82874592) has the molecular formula C19H16BrCl and a molecular weight of 359.69 g/mol. Its IUPAC name is 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
PubChem CID82874592
Molecular FormulaC19H16BrCl
Molecular Weight359.69 g/mol
Exact Mass358.01
IUPAC Name1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
SMILESCc1ccc(Cl)cc1C(Br)c1c(C)ccc2ccccc12
InChIInChI=1S/C19H16BrCl/c1-12-8-10-15(21)11-17(12)19(20)18-13(2)7-9-14-5-3-4-6-16(14)18/h3-11,19H,1-2H3
InChIKeyKBZAVBDMUAMLIS-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.69
LogP ≤ 56.59
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

2-Chloroanthracene
CID 28308
1-Chloroanthracene
CID 39740
1-Chloropyrene
CID 36730
9-Chlorophenanthrene
CID 13694
1,8-Dichloro-10-methyl-anthracene
CID 4071761
1-(Bromomethyl)-4-chloronaphthalene
CID 324520
Chrysene, 6-chloro-
CID 56969
9-Chloro-10-methylanthracene
CID 177049
2-Chloro-9,10-bis(phenylethynyl)anthracene
CID 323135
2-Chlorophenanthrene
CID 32363
Phenanthrene, 3-chloro-
CID 3013936
2-Bromomethyl-1-chloro-naphthalene
CID 13805765

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene?
The IUPAC name of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene (CID 82874592) is 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene?
The canonical SMILES for 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene is Cc1ccc(Cl)cc1C(Br)c1c(C)ccc2ccccc12.
What is the InChIKey of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene?
The InChIKey is KBZAVBDMUAMLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl/c1-12-8-10-15(21)11-17(12)19(20)18-13(2)7-9-14-5-3-4-6-16(14)18/h3-11,19H,1-2H3.
What are the key properties of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene?
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene has a molecular weight of 359.69 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene is sourced from PubChem (CID 82874592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).