(4-methyl-2,5-dihydrothiophen-2-yl)methanol

C6H10OS — CID 12589176

IUPAC(4-methyl-2,5-dihydrothiophen-2-yl)methanol
SMILESCC1=CC(CO)SC1
InChIInChI=1S/C6H10OS/c1-5-2-6(3-7)8-4-5/h2,6-7H,3-4H2,1H3
InChIKeyUQLFPBAXIQHGRA-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.04
Rot. Bonds1

About (4-methyl-2,5-dihydrothiophen-2-yl)methanol

(4-methyl-2,5-dihydrothiophen-2-yl)methanol (PubChem CID 12589176) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (4-methyl-2,5-dihydrothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2,5-dihydrothiophen-2-yl)methanol
PubChem CID12589176
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(4-methyl-2,5-dihydrothiophen-2-yl)methanol
SMILESCC1=CC(CO)SC1
InChIInChI=1S/C6H10OS/c1-5-2-6(3-7)8-4-5/h2,6-7H,3-4H2,1H3
InChIKeyUQLFPBAXIQHGRA-UHFFFAOYSA-N
XLogP1.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2,2-Dimethyl-2,5-dihydrothiophen-3-yl)methanol
CID 130127735
2,5-Dihydro-2-thiophenemethanol
CID 12589175
2-Hydroxymethyl-5-methyl-2,5-dihydrothiophene
CID 12589177
2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanol
CID 176430968
(5,5-dimethyl-2H-thiophen-3-yl)methanol
CID 19003454
2-(2,5-Dihydrothiophen-3-yl)ethanol
CID 20623011
(E)-2-methyl-5-methylsulfanylpent-2-en-1-ol
CID 57829359
(2-methyl-3,5-dihydro-2H-thiophen-3-id-5-yl)methanol;yttrium
CID 60011711
[(5S)-2-methyl-3,5-dihydro-2H-thiophen-3-id-5-yl]methanol;yttrium
CID 60030282
(5-Methyl-2,3-dihydrothiophen-2-yl)methanol
CID 68051007
2-Methyl-5-methylsulfanylpent-2-en-1-ol
CID 76577522
2-(2,3-Dihydrothiophen-5-yl)ethanol
CID 89343424

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,5-dihydrothiophen-2-yl)methanol?
The IUPAC name of (4-methyl-2,5-dihydrothiophen-2-yl)methanol (CID 12589176) is (4-methyl-2,5-dihydrothiophen-2-yl)methanol.
What is the SMILES notation for (4-methyl-2,5-dihydrothiophen-2-yl)methanol?
The canonical SMILES for (4-methyl-2,5-dihydrothiophen-2-yl)methanol is CC1=CC(CO)SC1.
What is the InChIKey of (4-methyl-2,5-dihydrothiophen-2-yl)methanol?
The InChIKey is UQLFPBAXIQHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-2-6(3-7)8-4-5/h2,6-7H,3-4H2,1H3.
What are the key properties of (4-methyl-2,5-dihydrothiophen-2-yl)methanol?
(4-methyl-2,5-dihydrothiophen-2-yl)methanol has a molecular weight of 130.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,5-dihydrothiophen-2-yl)methanol is sourced from PubChem (CID 12589176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).