5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene

C14H10BrClOS2 — CID 80745520

IUPAC5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
SMILESCOc1ccc(C(Cl)c2cc3sccc3s2)c(Br)c1
InChIInChI=1S/C14H10BrClOS2/c1-17-8-2-3-9(10(15)6-8)14(16)13-7-12-11(19-13)4-5-18-12/h2-7,14H,1H3
InChIKeyLOIFBWHYLREKND-UHFFFAOYSA-N
MW373.72 g/mol
LogP6.06
Rot. Bonds3

About 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene

5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene (PubChem CID 80745520) has the molecular formula C14H10BrClOS2 and a molecular weight of 373.72 g/mol. Its IUPAC name is 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
PubChem CID80745520
Molecular FormulaC14H10BrClOS2
Molecular Weight373.72 g/mol
Exact Mass371.90
IUPAC Name5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
SMILESCOc1ccc(C(Cl)c2cc3sccc3s2)c(Br)c1
InChIInChI=1S/C14H10BrClOS2/c1-17-8-2-3-9(10(15)6-8)14(16)13-7-12-11(19-13)4-5-18-12/h2-7,14H,1H3
InChIKeyLOIFBWHYLREKND-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.72
LogP ≤ 56.06
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

5-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
CID 105057143
5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80745326
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745438
5-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80738911
7-bromo-3-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-1-benzothiophene
CID 81128259
5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 103396524
2,3-dibromo-5-[chloro-(2,5-dimethoxyphenyl)methyl]thiophene
CID 80534556
5-[chloro-(4-methylphenyl)methyl]thieno[3,2-b]thiophene
CID 80744734
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
1-[(2-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81324400
2-[chloro-(2,4-dimethoxyphenyl)methyl]-1-benzothiophene
CID 63433711
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene?
The IUPAC name of 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene (CID 80745520) is 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene.
What is the SMILES notation for 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene?
The canonical SMILES for 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene is COc1ccc(C(Cl)c2cc3sccc3s2)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene?
The InChIKey is LOIFBWHYLREKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClOS2/c1-17-8-2-3-9(10(15)6-8)14(16)13-7-12-11(19-13)4-5-18-12/h2-7,14H,1H3.
What are the key properties of 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene?
5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene has a molecular weight of 373.72 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene is sourced from PubChem (CID 80745520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).