4-methyl-1-thiophen-3-ylpentane-2,3-diol

C10H16O2S — CID 103456677

IUPAC4-methyl-1-thiophen-3-ylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccsc1
InChIInChI=1S/C10H16O2S/c1-7(2)10(12)9(11)5-8-3-4-13-6-8/h3-4,6-7,9-12H,5H2,1-2H3
InChIKeyQJADCTGLRBJUBK-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.67
Rot. Bonds4

About 4-methyl-1-thiophen-3-ylpentane-2,3-diol

4-methyl-1-thiophen-3-ylpentane-2,3-diol (PubChem CID 103456677) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-methyl-1-thiophen-3-ylpentane-2,3-diol.

Molecular Properties

Compound Name4-methyl-1-thiophen-3-ylpentane-2,3-diol
PubChem CID103456677
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name4-methyl-1-thiophen-3-ylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccsc1
InChIInChI=1S/C10H16O2S/c1-7(2)10(12)9(11)5-8-3-4-13-6-8/h3-4,6-7,9-12H,5H2,1-2H3
InChIKeyQJADCTGLRBJUBK-UHFFFAOYSA-N
XLogP1.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-(2-fluoropropyl)thiophene
CID 74766003
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
CID 65151020
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
3-(2-ethylbutyl)thiophene
CID 89133993
3-(propan-2-yloxymethyl)thiophene
CID 146745191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-thiophen-3-ylpentane-2,3-diol?
The IUPAC name of 4-methyl-1-thiophen-3-ylpentane-2,3-diol (CID 103456677) is 4-methyl-1-thiophen-3-ylpentane-2,3-diol.
What is the SMILES notation for 4-methyl-1-thiophen-3-ylpentane-2,3-diol?
The canonical SMILES for 4-methyl-1-thiophen-3-ylpentane-2,3-diol is CC(C)C(O)C(O)Cc1ccsc1.
What is the InChIKey of 4-methyl-1-thiophen-3-ylpentane-2,3-diol?
The InChIKey is QJADCTGLRBJUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7(2)10(12)9(11)5-8-3-4-13-6-8/h3-4,6-7,9-12H,5H2,1-2H3.
What are the key properties of 4-methyl-1-thiophen-3-ylpentane-2,3-diol?
4-methyl-1-thiophen-3-ylpentane-2,3-diol has a molecular weight of 200.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-thiophen-3-ylpentane-2,3-diol is sourced from PubChem (CID 103456677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).