(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol

C13H7Cl3O2S — CID 107969916

IUPAC(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H7Cl3O2S/c14-7-1-2-9-6(3-7)4-10(18-9)12(17)8-5-11(15)19-13(8)16/h1-5,12,17H
InChIKeyPWKNXRPAQBWMBH-UHFFFAOYSA-N
MW333.62 g/mol
LogP5.54
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol

(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 107969916) has the molecular formula C13H7Cl3O2S and a molecular weight of 333.62 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID107969916
Molecular FormulaC13H7Cl3O2S
Molecular Weight333.62 g/mol
Exact Mass331.92
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H7Cl3O2S/c14-7-1-2-9-6(3-7)4-10(18-9)12(17)8-5-11(15)19-13(8)16/h1-5,12,17H
InChIKeyPWKNXRPAQBWMBH-UHFFFAOYSA-N
XLogP5.54
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.62
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 115836547
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
[(2,5-dichlorothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107970618
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
CID 114726543
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105129403

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol (CID 107969916) is (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol is OC(c1cc2cc(Cl)ccc2o1)c1cc(Cl)sc1Cl.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is PWKNXRPAQBWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O2S/c14-7-1-2-9-6(3-7)4-10(18-9)12(17)8-5-11(15)19-13(8)16/h1-5,12,17H.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol?
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 333.62 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 107969916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).