2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene

C10H8BrClOS2 — CID 81124555

IUPAC2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)c2sccc2Br)c1
InChIInChI=1S/C10H8BrClOS2/c1-13-6-4-8(15-5-6)9(12)10-7(11)2-3-14-10/h2-5,9H,1H3
InChIKeyKCMMZXZYOGXBFB-UHFFFAOYSA-N
MW323.66 g/mol
LogP4.91
Rot. Bonds3

About 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene

2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene (PubChem CID 81124555) has the molecular formula C10H8BrClOS2 and a molecular weight of 323.66 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
PubChem CID81124555
Molecular FormulaC10H8BrClOS2
Molecular Weight323.66 g/mol
Exact Mass321.89
IUPAC Name2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)c2sccc2Br)c1
InChIInChI=1S/C10H8BrClOS2/c1-13-6-4-8(15-5-6)9(12)10-7(11)2-3-14-10/h2-5,9H,1H3
InChIKeyKCMMZXZYOGXBFB-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.66
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105327987
2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene
CID 105057182
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene
CID 81125250
[2-(3-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]hydrazine
CID 105299660
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
3-bromo-2-[bromo-(3,5-dimethoxyphenyl)methyl]thiophene
CID 80536988
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
CID 81123738
2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene
CID 81123181
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
2-[chloro-(4-methoxynaphthalen-1-yl)methyl]-4-methoxythiophene
CID 81118931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene?
The IUPAC name of 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene (CID 81124555) is 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene is COc1csc(C(Cl)c2sccc2Br)c1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene?
The InChIKey is KCMMZXZYOGXBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS2/c1-13-6-4-8(15-5-6)9(12)10-7(11)2-3-14-10/h2-5,9H,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene?
2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene has a molecular weight of 323.66 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene is sourced from PubChem (CID 81124555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).