(3,5-dimethylthiophen-2-yl)methanol

C7H10OS — CID 81163700

IUPAC(3,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C)c(CO)s1
InChIInChI=1S/C7H10OS/c1-5-3-6(2)9-7(5)4-8/h3,8H,4H2,1-2H3
InChIKeyUCJBXSJICYTWRE-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.86
Rot. Bonds1

About (3,5-dimethylthiophen-2-yl)methanol

(3,5-dimethylthiophen-2-yl)methanol (PubChem CID 81163700) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)methanol
PubChem CID81163700
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name(3,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C)c(CO)s1
InChIInChI=1S/C7H10OS/c1-5-3-6(2)9-7(5)4-8/h3,8H,4H2,1-2H3
InChIKeyUCJBXSJICYTWRE-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)methanol?
The IUPAC name of (3,5-dimethylthiophen-2-yl)methanol (CID 81163700) is (3,5-dimethylthiophen-2-yl)methanol.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)methanol?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)methanol is Cc1cc(C)c(CO)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)methanol?
The InChIKey is UCJBXSJICYTWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-5-3-6(2)9-7(5)4-8/h3,8H,4H2,1-2H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)methanol?
(3,5-dimethylthiophen-2-yl)methanol has a molecular weight of 142.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)methanol is sourced from PubChem (CID 81163700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).