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

C18H13BrCl2 — CID 106863195

IUPAC1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
SMILESCc1ccc(C(Br)c2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H13BrCl2/c1-11-6-7-15(17(21)10-11)18(19)14-8-9-16(20)13-5-3-2-4-12(13)14/h2-10,18H,1H3
InChIKeyCMKJVVREKOWJRR-UHFFFAOYSA-N
MW380.11 g/mol
LogP6.94
Rot. Bonds2

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

1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene (PubChem CID 106863195) has the molecular formula C18H13BrCl2 and a molecular weight of 380.11 g/mol. Its IUPAC name is 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
PubChem CID106863195
Molecular FormulaC18H13BrCl2
Molecular Weight380.11 g/mol
Exact Mass377.96
IUPAC Name1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
SMILESCc1ccc(C(Br)c2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H13BrCl2/c1-11-6-7-15(17(21)10-11)18(19)14-8-9-16(20)13-5-3-2-4-12(13)14/h2-10,18H,1H3
InChIKeyCMKJVVREKOWJRR-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.11
LogP ≤ 56.94
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-methylnaphthalene
CID 106863173
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
CID 79597605
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene?
The IUPAC name of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene (CID 106863195) is 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene.
What is the SMILES notation for 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene?
The canonical SMILES for 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene is Cc1ccc(C(Br)c2ccc(Cl)c3ccccc23)c(Cl)c1.
What is the InChIKey of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene?
The InChIKey is CMKJVVREKOWJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2/c1-11-6-7-15(17(21)10-11)18(19)14-8-9-16(20)13-5-3-2-4-12(13)14/h2-10,18H,1H3.
What are the key properties of 1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene?
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene has a molecular weight of 380.11 g/mol, XLogP of 6.94, 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-chloronaphthalene is sourced from PubChem (CID 106863195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).