(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol

C15H13ClO2S — CID 114723653

IUPAC(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)s1
InChIInChI=1S/C15H13ClO2S/c1-2-11-4-6-14(19-11)15(17)13-8-9-7-10(16)3-5-12(9)18-13/h3-8,15,17H,2H2,1H3
InChIKeyTVDKBENMWXEEEX-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.79
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol

(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol (PubChem CID 114723653) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
PubChem CID114723653
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)s1
InChIInChI=1S/C15H13ClO2S/c1-2-11-4-6-14(19-11)15(17)13-8-9-7-10(16)3-5-12(9)18-13/h3-8,15,17H,2H2,1H3
InChIKeyTVDKBENMWXEEEX-UHFFFAOYSA-N
XLogP4.79
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
CID 61101728
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105129403
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217135
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol
CID 114726865
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol (CID 114723653) is (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)s1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol?
The InChIKey is TVDKBENMWXEEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-2-11-4-6-14(19-11)15(17)13-8-9-7-10(16)3-5-12(9)18-13/h3-8,15,17H,2H2,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol?
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol has a molecular weight of 292.79 g/mol, XLogP of 4.79, 3 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)-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 114723653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).