2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene

C22H24OS — CID 162107296

IUPAC2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene
SMILESCC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1
InChIInChI=1S/C11H12O.C11H12S/c2*1-8(2)11-7-9-5-3-4-6-10(9)12-11/h2*3-8H,1-2H3
InChIKeyZFRDLDCQKLICAH-UHFFFAOYSA-N
MW336.50 g/mol
LogP7.58
Rot. Bonds2

About 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene

2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene (PubChem CID 162107296) has the molecular formula C22H24OS and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene.

Molecular Properties

Compound Name2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene
PubChem CID162107296
Molecular FormulaC22H24OS
Molecular Weight336.50 g/mol
Exact Mass336.15
IUPAC Name2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene
SMILESCC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1
InChIInChI=1S/C11H12O.C11H12S/c2*1-8(2)11-7-9-5-3-4-6-10(9)12-11/h2*3-8H,1-2H3
InChIKeyZFRDLDCQKLICAH-UHFFFAOYSA-N
XLogP7.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene
CID 157296421
[1-benzofuran-2-yl(1-benzothiophen-2-yl)methyl]hydrazine
CID 105337766
1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836357
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-benzothiophen-2-yl-(5-bromo-1-benzofuran-2-yl)methanamine
CID 114910339
N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
CID 115718255
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
2-butan-2-yl-1-benzofuran
CID 12065919

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene?
The IUPAC name of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene (CID 162107296) is 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene.
What is the SMILES notation for 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene?
The canonical SMILES for 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene is CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.
What is the InChIKey of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene?
The InChIKey is ZFRDLDCQKLICAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C11H12S/c2*1-8(2)11-7-9-5-3-4-6-10(9)12-11/h2*3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene?
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene has a molecular weight of 336.50 g/mol, XLogP of 7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene is sourced from PubChem (CID 162107296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).