2-tert-butyl-4,5-dimethoxy-1-benzothiophene

C14H18O2S — CID 20747372

IUPAC2-tert-butyl-4,5-dimethoxy-1-benzothiophene
SMILESCOc1ccc2sc(C(C)(C)C)cc2c1OC
InChIInChI=1S/C14H18O2S/c1-14(2,3)12-8-9-11(17-12)7-6-10(15-4)13(9)16-5/h6-8H,1-5H3
InChIKeyZEGVAPRQRXVQPL-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.22
Rot. Bonds2

About 2-tert-butyl-4,5-dimethoxy-1-benzothiophene

2-tert-butyl-4,5-dimethoxy-1-benzothiophene (PubChem CID 20747372) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethoxy-1-benzothiophene
PubChem CID20747372
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name2-tert-butyl-4,5-dimethoxy-1-benzothiophene
SMILESCOc1ccc2sc(C(C)(C)C)cc2c1OC
InChIInChI=1S/C14H18O2S/c1-14(2,3)12-8-9-11(17-12)7-6-10(15-4)13(9)16-5/h6-8H,1-5H3
InChIKeyZEGVAPRQRXVQPL-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethoxy-1-benzothiophene-2-carbohydrazide
CID 102534229
5-tert-butyl-2,3-dimethoxythiophene
CID 146379266
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
2,3,4-trimethoxyaniline
CID 15455622
CID 54341332
CID 54341332
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
CID 66584049
CID 66584049
2-fluoro-4-methoxy-5-methyl-1-benzothiophene
CID 130803509
2-tert-butylbenzo[f][1]benzothiole
CID 121274220
4,7-dimethoxy-2-methyl-1-benzothiophene
CID 22890914
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 67201767

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethoxy-1-benzothiophene?
The IUPAC name of 2-tert-butyl-4,5-dimethoxy-1-benzothiophene (CID 20747372) is 2-tert-butyl-4,5-dimethoxy-1-benzothiophene.
What is the SMILES notation for 2-tert-butyl-4,5-dimethoxy-1-benzothiophene?
The canonical SMILES for 2-tert-butyl-4,5-dimethoxy-1-benzothiophene is COc1ccc2sc(C(C)(C)C)cc2c1OC.
What is the InChIKey of 2-tert-butyl-4,5-dimethoxy-1-benzothiophene?
The InChIKey is ZEGVAPRQRXVQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-14(2,3)12-8-9-11(17-12)7-6-10(15-4)13(9)16-5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-4,5-dimethoxy-1-benzothiophene?
2-tert-butyl-4,5-dimethoxy-1-benzothiophene has a molecular weight of 250.36 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethoxy-1-benzothiophene is sourced from PubChem (CID 20747372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).