7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene

C14H10BrClOS2 — CID 81152927

IUPAC7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene
SMILESCOc1ccsc1C(Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C14H10BrClOS2/c1-17-11-5-6-18-14(11)12(16)9-7-19-13-8(9)3-2-4-10(13)15/h2-7,12H,1H3
InChIKeyKDQLWSLDPJODNV-UHFFFAOYSA-N
MW373.72 g/mol
LogP6.06
Rot. Bonds3

About 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene

7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene (PubChem CID 81152927) has the molecular formula C14H10BrClOS2 and a molecular weight of 373.72 g/mol. Its IUPAC name is 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene
PubChem CID81152927
Molecular FormulaC14H10BrClOS2
Molecular Weight373.72 g/mol
Exact Mass371.90
IUPAC Name7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene
SMILESCOc1ccsc1C(Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C14H10BrClOS2/c1-17-11-5-6-18-14(11)12(16)9-7-19-13-8(9)3-2-4-10(13)15/h2-7,12H,1H3
InChIKeyKDQLWSLDPJODNV-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

7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
7-bromo-3-[bromo-(3-chlorothiophen-2-yl)methyl]-1-benzothiophene
CID 81148280
7-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-1-benzothiophene
CID 81152926
7-bromo-3-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-benzothiophene
CID 81477216
2-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-5-methylfuran
CID 81147349
7-bromo-3-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-1-benzothiophene
CID 81128259
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
CID 81133000
2-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-3-methylfuran
CID 81153345
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
CID 81128494
7-bromo-3-[chloro-(2,4,6-trifluorophenyl)methyl]-1-benzothiophene
CID 81129145
7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene
CID 81146675

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene?
The IUPAC name of 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene (CID 81152927) is 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene?
The canonical SMILES for 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene is COc1ccsc1C(Cl)c1csc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene?
The InChIKey is KDQLWSLDPJODNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClOS2/c1-17-11-5-6-18-14(11)12(16)9-7-19-13-8(9)3-2-4-10(13)15/h2-7,12H,1H3.
What are the key properties of 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene?
7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene 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 7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene is sourced from PubChem (CID 81152927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).