(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol

C16H15ClO2S — CID 104543182

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCC2)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H15ClO2S/c17-11-6-10-4-5-19-16(10)12(8-11)15(18)14-7-9-2-1-3-13(9)20-14/h6-8,15,18H,1-5H2
InChIKeyZSSJBYDBHXLTNH-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.91
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol (PubChem CID 104543182) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
PubChem CID104543182
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCC2)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H15ClO2S/c17-11-6-10-4-5-19-16(10)12(8-11)15(18)14-7-9-2-1-3-13(9)20-14/h6-8,15,18H,1-5H2
InChIKeyZSSJBYDBHXLTNH-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
(2,5-dichlorothiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426895
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-hydroxymethyl]benzoic acid
CID 104546150

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol (CID 104543182) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol is OC(c1cc2c(s1)CCC2)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The InChIKey is ZSSJBYDBHXLTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c17-11-6-10-4-5-19-16(10)12(8-11)15(18)14-7-9-2-1-3-13(9)20-14/h6-8,15,18H,1-5H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol has a molecular weight of 306.81 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol is sourced from PubChem (CID 104543182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).