1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene

C17H11BrCl2 — CID 79597875

IUPAC1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
SMILESClc1cccc(C(Cl)c2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C17H11BrCl2/c18-16-9-8-15(13-6-1-2-7-14(13)16)17(20)11-4-3-5-12(19)10-11/h1-10,17H
InChIKeyNXYLJPZHIYPWKY-UHFFFAOYSA-N
MW366.09 g/mol
LogP6.58
Rot. Bonds2

About 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene

1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene (PubChem CID 79597875) has the molecular formula C17H11BrCl2 and a molecular weight of 366.09 g/mol. Its IUPAC name is 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
PubChem CID79597875
Molecular FormulaC17H11BrCl2
Molecular Weight366.09 g/mol
Exact Mass363.94
IUPAC Name1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
SMILESClc1cccc(C(Cl)c2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C17H11BrCl2/c18-16-9-8-15(13-6-1-2-7-14(13)16)17(20)11-4-3-5-12(19)10-11/h1-10,17H
InChIKeyNXYLJPZHIYPWKY-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.09
LogP ≤ 56.58
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-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
1-bromo-4-[chloro-(3-methoxyphenyl)methyl]naphthalene
CID 79591185
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
CID 79597717
1-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
CID 79683678
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene (CID 79597875) is 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene is Clc1cccc(C(Cl)c2ccc(Br)c3ccccc23)c1.
What is the InChIKey of 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene?
The InChIKey is NXYLJPZHIYPWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2/c18-16-9-8-15(13-6-1-2-7-14(13)16)17(20)11-4-3-5-12(19)10-11/h1-10,17H.
What are the key properties of 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene?
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene has a molecular weight of 366.09 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene is sourced from PubChem (CID 79597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).