methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate

C14H14O4S — CID 79083735

IUPACmethyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Sc2ccccc2O)o1
InChIInChI=1S/C14H14O4S/c1-9(19-13-6-4-3-5-10(13)15)11-7-8-12(18-11)14(16)17-2/h3-9,15H,1-2H3
InChIKeyQWYXZONXOQFAGL-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.63
Rot. Bonds4

About methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate

methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate (PubChem CID 79083735) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate
PubChem CID79083735
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namemethyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Sc2ccccc2O)o1
InChIInChI=1S/C14H14O4S/c1-9(19-13-6-4-3-5-10(13)15)11-7-8-12(18-11)14(16)17-2/h3-9,15H,1-2H3
InChIKeyQWYXZONXOQFAGL-UHFFFAOYSA-N
XLogP3.63
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(1R)-1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]furan-2-carboxylate
CID 94087157
methyl 5-[1-(4-amino-2-methylphenyl)sulfanylethyl]furan-2-carboxylate
CID 79083637
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-[1-(4-amino-2-bromophenyl)sulfanylethyl]furan-2-carboxylate
CID 82841346
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651
methyl 5-[1-(2-amino-6-chlorophenyl)sulfanylethyl]furan-2-carboxylate
CID 79084689
methyl 5-[1-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]furan-2-carboxylate
CID 47166886
methyl 5-[(1R)-1-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]furan-2-carboxylate
CID 94087159
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]furan-2-carboxylate
CID 112726669
methyl 5-[1-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]furan-2-carboxylate
CID 79084167
methyl 5-[(1S)-1-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethyl]furan-2-carboxylate
CID 39067872

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate (CID 79083735) is methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Sc2ccccc2O)o1.
What is the InChIKey of methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate?
The InChIKey is QWYXZONXOQFAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9(19-13-6-4-3-5-10(13)15)11-7-8-12(18-11)14(16)17-2/h3-9,15H,1-2H3.
What are the key properties of methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate?
methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate is sourced from PubChem (CID 79083735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).