3-methyl-2-propan-2-yl-1-benzothiophen-5-ol

C12H14OS — CID 58448893

IUPAC3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
SMILESCc1c(C(C)C)sc2ccc(O)cc12
InChIInChI=1S/C12H14OS/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h4-7,13H,1-3H3
InChIKeyUHDICBGNRUGLFB-UHFFFAOYSA-N
MW206.31 g/mol
LogP4.04
Rot. Bonds1

About 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol

3-methyl-2-propan-2-yl-1-benzothiophen-5-ol (PubChem CID 58448893) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
PubChem CID58448893
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
SMILESCc1c(C(C)C)sc2ccc(O)cc12
InChIInChI=1S/C12H14OS/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h4-7,13H,1-3H3
InChIKeyUHDICBGNRUGLFB-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol?
The IUPAC name of 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol (CID 58448893) is 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol.
What is the SMILES notation for 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol?
The canonical SMILES for 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol is Cc1c(C(C)C)sc2ccc(O)cc12.
What is the InChIKey of 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol?
The InChIKey is UHDICBGNRUGLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h4-7,13H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol?
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol has a molecular weight of 206.31 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-1-benzothiophen-5-ol is sourced from PubChem (CID 58448893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).