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

C14H10BrClOS2 — CID 80745326

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

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

5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene (PubChem CID 80745326) has the molecular formula C14H10BrClOS2 and a molecular weight of 373.72 g/mol. Its IUPAC name is 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene
PubChem CID80745326
Molecular FormulaC14H10BrClOS2
Molecular Weight373.72 g/mol
Exact Mass371.90
IUPAC Name5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene
SMILESCOc1ccc(C(Br)c2cc3sccc3s2)c(Cl)c1
InChIInChI=1S/C14H10BrClOS2/c1-17-8-2-3-9(10(16)6-8)14(15)13-7-12-11(19-13)4-5-18-12/h2-7,14H,1H3
InChIKeyFMNPOYRXCKWJSZ-UHFFFAOYSA-N
XLogP6.11
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 ≤ 56.11
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-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
CID 80745520
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81105658
5-[bromo-(2-chloro-4,5-difluorophenyl)methyl]thieno[3,2-b]thiophene
CID 107477680
5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 103396524
5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene
CID 80744838
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-3-ethylthiophene
CID 79975691
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63443070
3-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 61098604
5-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80738911
2-bromo-4-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 107964733
5-[bromo-(3,4-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80745040
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
The IUPAC name of 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene (CID 80745326) is 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene.
What is the SMILES notation for 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
The canonical SMILES for 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene is COc1ccc(C(Br)c2cc3sccc3s2)c(Cl)c1.
What is the InChIKey of 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
The InChIKey is FMNPOYRXCKWJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClOS2/c1-17-8-2-3-9(10(16)6-8)14(15)13-7-12-11(19-13)4-5-18-12/h2-7,14H,1H3.
What are the key properties of 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene has a molecular weight of 373.72 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene is sourced from PubChem (CID 80745326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).