[4-(2-methylpropyl)thiophen-3-yl]methanol

C9H14OS — CID 114754445

IUPAC[4-(2-methylpropyl)thiophen-3-yl]methanol
SMILESCC(C)Cc1cscc1CO
InChIInChI=1S/C9H14OS/c1-7(2)3-8-5-11-6-9(8)4-10/h5-7,10H,3-4H2,1-2H3
InChIKeyUGQFGCXVMGNZEL-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.44
Rot. Bonds3

About [4-(2-methylpropyl)thiophen-3-yl]methanol

[4-(2-methylpropyl)thiophen-3-yl]methanol (PubChem CID 114754445) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is [4-(2-methylpropyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)thiophen-3-yl]methanol
PubChem CID114754445
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name[4-(2-methylpropyl)thiophen-3-yl]methanol
SMILESCC(C)Cc1cscc1CO
InChIInChI=1S/C9H14OS/c1-7(2)3-8-5-11-6-9(8)4-10/h5-7,10H,3-4H2,1-2H3
InChIKeyUGQFGCXVMGNZEL-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(2-methylpropyl)thiophene
CID 146177932
N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine
CID 114748814
[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol
CID 105422691
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
CID 172851102
CID 172851102
5-chloro-4-(2-methylpropyl)-1,2-thiazole
CID 140701370
3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene
CID 86062487
5-iodo-1,2,3-tris(2-methylpropyl)benzene
CID 170062078
2,3,5-tris(2-methylpropyl)phenol
CID 101292759
3-[2-(2-methylpropyl)phenyl]thiophene
CID 58439651
2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
CID 102186147
2-(2-methylpropyl)phenol;propane
CID 158609255

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)thiophen-3-yl]methanol?
The IUPAC name of [4-(2-methylpropyl)thiophen-3-yl]methanol (CID 114754445) is [4-(2-methylpropyl)thiophen-3-yl]methanol.
What is the SMILES notation for [4-(2-methylpropyl)thiophen-3-yl]methanol?
The canonical SMILES for [4-(2-methylpropyl)thiophen-3-yl]methanol is CC(C)Cc1cscc1CO.
What is the InChIKey of [4-(2-methylpropyl)thiophen-3-yl]methanol?
The InChIKey is UGQFGCXVMGNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-7(2)3-8-5-11-6-9(8)4-10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)thiophen-3-yl]methanol?
[4-(2-methylpropyl)thiophen-3-yl]methanol has a molecular weight of 170.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)thiophen-3-yl]methanol is sourced from PubChem (CID 114754445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).