(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol

C11H12O2S — CID 61087975

IUPAC(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol
SMILESCc1cc(C(O)c2ccoc2)c(C)s1
InChIInChI=1S/C11H12O2S/c1-7-5-10(8(2)14-7)11(12)9-3-4-13-6-9/h3-6,11-12H,1-2H3
InChIKeyXARHCFCDFXJVTA-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.04
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol

(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol (PubChem CID 61087975) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol
PubChem CID61087975
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol
SMILESCc1cc(C(O)c2ccoc2)c(C)s1
InChIInChI=1S/C11H12O2S/c1-7-5-10(8(2)14-7)11(12)9-3-4-13-6-9/h3-6,11-12H,1-2H3
InChIKeyXARHCFCDFXJVTA-UHFFFAOYSA-N
XLogP3.04
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol
CID 61081034
(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
CID 65453801
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 63186629
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 61086868
(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
CID 63901158
(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63901362
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
furan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927081
(4-chloro-3-methylphenyl)-(furan-3-yl)methanol
CID 91636310
(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 81111173
(S)-(4-fluoro-3-methylphenyl)-(furan-3-yl)methanol
CID 95252370
(2-fluorophenyl)-(furan-3-yl)methanol
CID 63895153

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol (CID 61087975) is (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol is Cc1cc(C(O)c2ccoc2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol?
The InChIKey is XARHCFCDFXJVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-7-5-10(8(2)14-7)11(12)9-3-4-13-6-9/h3-6,11-12H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol?
(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol has a molecular weight of 208.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol is sourced from PubChem (CID 61087975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).