1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene

C19H16BrCl — CID 106863173

IUPAC1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(Br)c2ccc(C)c3ccccc23)c(Cl)c1
InChIInChI=1S/C19H16BrCl/c1-12-7-9-17(18(21)11-12)19(20)16-10-8-13(2)14-5-3-4-6-15(14)16/h3-11,19H,1-2H3
InChIKeyNWUROJYIILAXNT-UHFFFAOYSA-N
MW359.69 g/mol
LogP6.59
Rot. Bonds2

About 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene

1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene (PubChem CID 106863173) has the molecular formula C19H16BrCl and a molecular weight of 359.69 g/mol. Its IUPAC name is 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene.

Molecular Properties

Compound Name1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
PubChem CID106863173
Molecular FormulaC19H16BrCl
Molecular Weight359.69 g/mol
Exact Mass358.01
IUPAC Name1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(Br)c2ccc(C)c3ccccc23)c(Cl)c1
InChIInChI=1S/C19H16BrCl/c1-12-7-9-17(18(21)11-12)19(20)16-10-8-13(2)14-5-3-4-6-15(14)16/h3-11,19H,1-2H3
InChIKeyNWUROJYIILAXNT-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

1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
2-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-chloro-4-methylthiophene
CID 103404811
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
2-[bromo-(2-chloro-4-methylphenyl)methyl]-3,5-dimethylthiophene
CID 106863236
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
1-[bromo-(4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106862999
1-bromo-3-[bromo-(2-chloro-4-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 106862986

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene?
The IUPAC name of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene (CID 106863173) is 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene.
What is the SMILES notation for 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene?
The canonical SMILES for 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene is Cc1ccc(C(Br)c2ccc(C)c3ccccc23)c(Cl)c1.
What is the InChIKey of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene?
The InChIKey is NWUROJYIILAXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl/c1-12-7-9-17(18(21)11-12)19(20)16-10-8-13(2)14-5-3-4-6-15(14)16/h3-11,19H,1-2H3.
What are the key properties of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene?
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-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-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene is sourced from PubChem (CID 106863173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).