3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene

C15H10BrClS — CID 79597717

IUPAC3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
SMILESClC(c1ccsc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H10BrClS/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-18-9-10/h1-9,15H
InChIKeyJZGDKINBTXBEJF-UHFFFAOYSA-N
MW337.67 g/mol
LogP5.99
Rot. Bonds2

About 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene

3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene (PubChem CID 79597717) has the molecular formula C15H10BrClS and a molecular weight of 337.67 g/mol. Its IUPAC name is 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene.

Molecular Properties

Compound Name3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
PubChem CID79597717
Molecular FormulaC15H10BrClS
Molecular Weight337.67 g/mol
Exact Mass335.94
IUPAC Name3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene
SMILESClC(c1ccsc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H10BrClS/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-18-9-10/h1-9,15H
InChIKeyJZGDKINBTXBEJF-UHFFFAOYSA-N
XLogP5.99
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 ≤ 55.99
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
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
CID 79683678
N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
CID 79597209
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
3-[chloro-(2,5-dibromo-4-methylphenyl)methyl]thiophene
CID 81474189
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812
1-bromo-4-[chloro-(3-methoxyphenyl)methyl]naphthalene
CID 79591185
3-[chloro-(2,3,4-trimethoxyphenyl)methyl]thiophene
CID 61084070
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
CID 81482247

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene?
The IUPAC name of 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene (CID 79597717) is 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene.
What is the SMILES notation for 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene?
The canonical SMILES for 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene is ClC(c1ccsc1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene?
The InChIKey is JZGDKINBTXBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClS/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-18-9-10/h1-9,15H.
What are the key properties of 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene?
3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene has a molecular weight of 337.67 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromonaphthalen-1-yl)-chloromethyl]thiophene is sourced from PubChem (CID 79597717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).