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

C10H16OS — CID 10986973

IUPAC2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol
SMILESCc1ccsc1CCC(C)(C)O
InChIInChI=1S/C10H16OS/c1-8-5-7-12-9(8)4-6-10(2,3)11/h5,7,11H,4,6H2,1-3H3
InChIKeyZTVWNVGMFZGZJX-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.76
Rot. Bonds3

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

2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol (PubChem CID 10986973) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol
PubChem CID10986973
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol
SMILESCc1ccsc1CCC(C)(C)O
InChIInChI=1S/C10H16OS/c1-8-5-7-12-9(8)4-6-10(2,3)11/h5,7,11H,4,6H2,1-3H3
InChIKeyZTVWNVGMFZGZJX-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol (CID 10986973) is 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol is Cc1ccsc1CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol?
The InChIKey is ZTVWNVGMFZGZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-8-5-7-12-9(8)4-6-10(2,3)11/h5,7,11H,4,6H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol?
2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol has a molecular weight of 184.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylthiophen-2-yl)butan-2-ol is sourced from PubChem (CID 10986973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).