2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene

C15H9BrCl2S — CID 79593812

IUPAC2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
SMILESClc1ccc(C(Cl)c2ccc(Br)c3ccccc23)s1
InChIInChI=1S/C15H9BrCl2S/c16-12-6-5-11(9-3-1-2-4-10(9)12)15(18)13-7-8-14(17)19-13/h1-8,15H
InChIKeyUSRJJBFXCZPHAN-UHFFFAOYSA-N
MW372.11 g/mol
LogP6.65
Rot. Bonds2

About 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene

2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene (PubChem CID 79593812) has the molecular formula C15H9BrCl2S and a molecular weight of 372.11 g/mol. Its IUPAC name is 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene.

Molecular Properties

Compound Name2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
PubChem CID79593812
Molecular FormulaC15H9BrCl2S
Molecular Weight372.11 g/mol
Exact Mass369.90
IUPAC Name2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
SMILESClc1ccc(C(Cl)c2ccc(Br)c3ccccc23)s1
InChIInChI=1S/C15H9BrCl2S/c16-12-6-5-11(9-3-1-2-4-10(9)12)15(18)13-7-8-14(17)19-13/h1-8,15H
InChIKeyUSRJJBFXCZPHAN-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.11
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 79591148
3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
CID 79597717
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
CID 81482247
4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
CID 79683678
2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79754690
2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene
CID 79808536
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79596868

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene?
The IUPAC name of 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene (CID 79593812) is 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene.
What is the SMILES notation for 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene?
The canonical SMILES for 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene is Clc1ccc(C(Cl)c2ccc(Br)c3ccccc23)s1.
What is the InChIKey of 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene?
The InChIKey is USRJJBFXCZPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2S/c16-12-6-5-11(9-3-1-2-4-10(9)12)15(18)13-7-8-14(17)19-13/h1-8,15H.
What are the key properties of 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene?
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene has a molecular weight of 372.11 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene is sourced from PubChem (CID 79593812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).