[3-(1-hydroxyethyl)thiophen-2-yl]methanediol

C7H10O3S — CID 20712579

IUPAC[3-(1-hydroxyethyl)thiophen-2-yl]methanediol
SMILESCC(O)c1ccsc1C(O)O
InChIInChI=1S/C7H10O3S/c1-4(8)5-2-3-11-6(5)7(9)10/h2-4,7-10H,1H3
InChIKeyDJHCWEXRLRRHLY-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.78
Rot. Bonds2

About [3-(1-hydroxyethyl)thiophen-2-yl]methanediol

[3-(1-hydroxyethyl)thiophen-2-yl]methanediol (PubChem CID 20712579) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)thiophen-2-yl]methanediol.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)thiophen-2-yl]methanediol
PubChem CID20712579
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name[3-(1-hydroxyethyl)thiophen-2-yl]methanediol
SMILESCC(O)c1ccsc1C(O)O
InChIInChI=1S/C7H10O3S/c1-4(8)5-2-3-11-6(5)7(9)10/h2-4,7-10H,1H3
InChIKeyDJHCWEXRLRRHLY-UHFFFAOYSA-N
XLogP0.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-(1-hydroxyethyl)thiophen-2-yl]methanediol 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

3-[(1S)-1-hydroxyethyl]thiophene-2-carbaldehyde
CID 45083877
2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol
CID 126703946
2,3-di(propan-2-yl)thiophene;ethane;methane
CID 161153650
phenyl-(2-propan-2-ylthiophen-3-yl)methanol
CID 121226271
1-(3-isocyanothiophen-2-yl)ethanol
CID 171468958
3-(2-chlorothiophen-3-yl)butan-2-ol
CID 130632241
2-methyl-1-[3-(2-methyl-1-trimethylsilyloxypropyl)thiophen-2-yl]propan-1-ol
CID 101440618
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
(2-propan-2-ylthiophen-3-yl)boronic acid
CID 140787974
1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol
CID 130361043
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)thiophen-2-yl]methanediol?
The IUPAC name of [3-(1-hydroxyethyl)thiophen-2-yl]methanediol (CID 20712579) is [3-(1-hydroxyethyl)thiophen-2-yl]methanediol.
What is the SMILES notation for [3-(1-hydroxyethyl)thiophen-2-yl]methanediol?
The canonical SMILES for [3-(1-hydroxyethyl)thiophen-2-yl]methanediol is CC(O)c1ccsc1C(O)O.
What is the InChIKey of [3-(1-hydroxyethyl)thiophen-2-yl]methanediol?
The InChIKey is DJHCWEXRLRRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c1-4(8)5-2-3-11-6(5)7(9)10/h2-4,7-10H,1H3.
What are the key properties of [3-(1-hydroxyethyl)thiophen-2-yl]methanediol?
[3-(1-hydroxyethyl)thiophen-2-yl]methanediol has a molecular weight of 174.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)thiophen-2-yl]methanediol is sourced from PubChem (CID 20712579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).