2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene

C15H10BrClS — CID 79596911

IUPAC2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene
SMILESClc1ccc(C(Br)c2cccs2)c2ccccc12
InChIInChI=1S/C15H10BrClS/c16-15(14-6-3-9-18-14)12-7-8-13(17)11-5-2-1-4-10(11)12/h1-9,15H
InChIKeyAONLHYFAWNANQG-UHFFFAOYSA-N
MW337.67 g/mol
LogP6.04
Rot. Bonds2

About 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene

2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene (PubChem CID 79596911) has the molecular formula C15H10BrClS and a molecular weight of 337.67 g/mol. Its IUPAC name is 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene.

Molecular Properties

Compound Name2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene
PubChem CID79596911
Molecular FormulaC15H10BrClS
Molecular Weight337.67 g/mol
Exact Mass335.94
IUPAC Name2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene
SMILESClc1ccc(C(Br)c2cccs2)c2ccccc12
InChIInChI=1S/C15H10BrClS/c16-15(14-6-3-9-18-14)12-7-8-13(17)11-5-2-1-4-10(11)12/h1-9,15H
InChIKeyAONLHYFAWNANQG-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.67
LogP ≤ 56.04
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

2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
2-[bromo-(2,3-dichlorophenyl)methyl]thiophene
CID 63442411
1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
CID 79597605
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene
CID 81462064
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene?
The IUPAC name of 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene (CID 79596911) is 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene.
What is the SMILES notation for 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene?
The canonical SMILES for 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene is Clc1ccc(C(Br)c2cccs2)c2ccccc12.
What is the InChIKey of 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene?
The InChIKey is AONLHYFAWNANQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClS/c16-15(14-6-3-9-18-14)12-7-8-13(17)11-5-2-1-4-10(11)12/h1-9,15H.
What are the key properties of 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene?
2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene has a molecular weight of 337.67 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene is sourced from PubChem (CID 79596911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).