2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene

C14H13BrCl2S — CID 66048354

IUPAC2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
SMILESClCC(Cc1cccc(Cl)c1)Cc1ccc(Br)s1
InChIInChI=1S/C14H13BrCl2S/c15-14-5-4-13(18-14)8-11(9-16)6-10-2-1-3-12(17)7-10/h1-5,7,11H,6,8-9H2
InChIKeyXHPAJLSSIDFFEZ-UHFFFAOYSA-N
MW364.14 g/mol
LogP5.80
Rot. Bonds5

About 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene

2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene (PubChem CID 66048354) has the molecular formula C14H13BrCl2S and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
PubChem CID66048354
Molecular FormulaC14H13BrCl2S
Molecular Weight364.14 g/mol
Exact Mass361.93
IUPAC Name2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
SMILESClCC(Cc1cccc(Cl)c1)Cc1ccc(Br)s1
InChIInChI=1S/C14H13BrCl2S/c15-14-5-4-13(18-14)8-11(9-16)6-10-2-1-3-12(17)7-10/h1-5,7,11H,6,8-9H2
InChIKeyXHPAJLSSIDFFEZ-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 55.80
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

5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66050768
2-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-5-ethylthiophene
CID 66042924
1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66049437
2-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]thiophene
CID 66041103
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
2-[(3-bromophenyl)methyl]-3-(5-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63522640
2-bromo-5-[2-(chloromethyl)pentyl]thiophene
CID 66036110
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 66048357

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene?
The IUPAC name of 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene (CID 66048354) is 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene.
What is the SMILES notation for 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene?
The canonical SMILES for 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene is ClCC(Cc1cccc(Cl)c1)Cc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene?
The InChIKey is XHPAJLSSIDFFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2S/c15-14-5-4-13(18-14)8-11(9-16)6-10-2-1-3-12(17)7-10/h1-5,7,11H,6,8-9H2.
What are the key properties of 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene?
2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene has a molecular weight of 364.14 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene is sourced from PubChem (CID 66048354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).