2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene

C16H16Cl2O2S — CID 63432858

IUPAC2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCOc1cc(Cl)c(C(Cl)c2cc3c(s2)CCC3)cc1OC
InChIInChI=1S/C16H16Cl2O2S/c1-19-12-7-10(11(17)8-13(12)20-2)16(18)15-6-9-4-3-5-14(9)21-15/h6-8,16H,3-5H2,1-2H3
InChIKeyYKUNCPXZBHXLSY-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.24
Rot. Bonds4

About 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene

2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 63432858) has the molecular formula C16H16Cl2O2S and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID63432858
Molecular FormulaC16H16Cl2O2S
Molecular Weight343.28 g/mol
Exact Mass342.02
IUPAC Name2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCOc1cc(Cl)c(C(Cl)c2cc3c(s2)CCC3)cc1OC
InChIInChI=1S/C16H16Cl2O2S/c1-19-12-7-10(11(17)8-13(12)20-2)16(18)15-6-9-4-3-5-14(9)21-15/h6-8,16H,3-5H2,1-2H3
InChIKeyYKUNCPXZBHXLSY-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081513
2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63434342
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63434660
5-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80738911
1-(5-chloro-2-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 104545915
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115818050
2-[chloro-(2,4-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63430519
2-[chloro-(2,5-dibromophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63429641
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63443871
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 63443070
2-[chloro-(2,5-dibromothiophen-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63436385
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 63432858) is 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene is COc1cc(Cl)c(C(Cl)c2cc3c(s2)CCC3)cc1OC.
What is the InChIKey of 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is YKUNCPXZBHXLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2S/c1-19-12-7-10(11(17)8-13(12)20-2)16(18)15-6-9-4-3-5-14(9)21-15/h6-8,16H,3-5H2,1-2H3.
What are the key properties of 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene?
2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 343.28 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 63432858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).