1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol

C17H11ClO2S — CID 114723580

IUPAC1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)c1csc2ccccc12
InChIInChI=1S/C17H11ClO2S/c18-13-6-3-4-10-8-14(20-17(10)13)16(19)12-9-21-15-7-2-1-5-11(12)15/h1-9,16,19H
InChIKeyLSPLCWDTCDXJLU-UHFFFAOYSA-N
MW314.79 g/mol
LogP5.38
Rot. Bonds2

About 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol

1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol (PubChem CID 114723580) has the molecular formula C17H11ClO2S and a molecular weight of 314.79 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
PubChem CID114723580
Molecular FormulaC17H11ClO2S
Molecular Weight314.79 g/mol
Exact Mass314.02
IUPAC Name1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)c1csc2ccccc12
InChIInChI=1S/C17H11ClO2S/c18-13-6-3-4-10-8-14(20-17(10)13)16(19)12-9-21-15-7-2-1-5-11(12)15/h1-9,16,19H
InChIKeyLSPLCWDTCDXJLU-UHFFFAOYSA-N
XLogP5.38
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.79
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408290
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724837
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
CID 63194986
1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
CID 103210159
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105130423

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol (CID 114723580) is 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol is OC(c1cc2cccc(Cl)c2o1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is LSPLCWDTCDXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO2S/c18-13-6-3-4-10-8-14(20-17(10)13)16(19)12-9-21-15-7-2-1-5-11(12)15/h1-9,16,19H.
What are the key properties of 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol?
1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 314.79 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).