4-(3-methylthiophen-2-yl)butan-2-ol

C9H14OS — CID 79995022

IUPAC4-(3-methylthiophen-2-yl)butan-2-ol
SMILESCc1ccsc1CCC(C)O
InChIInChI=1S/C9H14OS/c1-7-5-6-11-9(7)4-3-8(2)10/h5-6,8,10H,3-4H2,1-2H3
InChIKeyJVFWKWMSTLLUGZ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.37
Rot. Bonds3

About 4-(3-methylthiophen-2-yl)butan-2-ol

4-(3-methylthiophen-2-yl)butan-2-ol (PubChem CID 79995022) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)butan-2-ol
PubChem CID79995022
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name4-(3-methylthiophen-2-yl)butan-2-ol
SMILESCc1ccsc1CCC(C)O
InChIInChI=1S/C9H14OS/c1-7-5-6-11-9(7)4-3-8(2)10/h5-6,8,10H,3-4H2,1-2H3
InChIKeyJVFWKWMSTLLUGZ-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)butan-2-ol?
The IUPAC name of 4-(3-methylthiophen-2-yl)butan-2-ol (CID 79995022) is 4-(3-methylthiophen-2-yl)butan-2-ol.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)butan-2-ol?
The canonical SMILES for 4-(3-methylthiophen-2-yl)butan-2-ol is Cc1ccsc1CCC(C)O.
What is the InChIKey of 4-(3-methylthiophen-2-yl)butan-2-ol?
The InChIKey is JVFWKWMSTLLUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-7-5-6-11-9(7)4-3-8(2)10/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 4-(3-methylthiophen-2-yl)butan-2-ol?
4-(3-methylthiophen-2-yl)butan-2-ol has a molecular weight of 170.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)butan-2-ol is sourced from PubChem (CID 79995022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).