[4-(hydroxymethoxy)thiophen-3-yl]oxymethanol

C6H8O4S — CID 169051998

IUPAC[4-(hydroxymethoxy)thiophen-3-yl]oxymethanol
SMILESOCOc1cscc1OCO
InChIInChI=1S/C6H8O4S/c7-3-9-5-1-11-2-6(5)10-4-8/h1-2,7-8H,3-4H2
InChIKeyNWVBJQAZZKFMKP-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.41
Rot. Bonds4

About [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol

[4-(hydroxymethoxy)thiophen-3-yl]oxymethanol (PubChem CID 169051998) has the molecular formula C6H8O4S and a molecular weight of 176.19 g/mol. Its IUPAC name is [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol.

Molecular Properties

Compound Name[4-(hydroxymethoxy)thiophen-3-yl]oxymethanol
PubChem CID169051998
Molecular FormulaC6H8O4S
Molecular Weight176.19 g/mol
Exact Mass176.01
IUPAC Name[4-(hydroxymethoxy)thiophen-3-yl]oxymethanol
SMILESOCOc1cscc1OCO
InChIInChI=1S/C6H8O4S/c7-3-9-5-1-11-2-6(5)10-4-8/h1-2,7-8H,3-4H2
InChIKeyNWVBJQAZZKFMKP-UHFFFAOYSA-N
XLogP0.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol 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

[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol
CID 140957767
3-(4-methoxythiophen-3-yl)propan-1-ol
CID 68749892
2-(4-methoxythiophen-3-yl)ethanol
CID 46832003
3,4-dihexoxythiophene;ethene
CID 175595567
(2-aminophenoxy)methanol
CID 22976615
[3,4-bis(hydroxymethoxy)phenyl]methanol
CID 156779963
benzene;naphthalen-1-yloxymethanol
CID 70447137
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
3-(2-bromoethoxy)-4-methylthiophene
CID 22016338
3-phenyl-4-propoxythiophene
CID 57117902
3,4-bis(ethenoxy)thiophene
CID 66687977

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol?
The IUPAC name of [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol (CID 169051998) is [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol.
What is the SMILES notation for [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol?
The canonical SMILES for [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol is OCOc1cscc1OCO.
What is the InChIKey of [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol?
The InChIKey is NWVBJQAZZKFMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S/c7-3-9-5-1-11-2-6(5)10-4-8/h1-2,7-8H,3-4H2.
What are the key properties of [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol?
[4-(hydroxymethoxy)thiophen-3-yl]oxymethanol has a molecular weight of 176.19 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethoxy)thiophen-3-yl]oxymethanol is sourced from PubChem (CID 169051998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).