5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran

C22H28O2 — CID 158005969

IUPAC5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
SMILESCC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCC2
InChIInChI=1S/2C11H14O/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h2*3-4,7-8H,5-6H2,1-2H3
InChIKeyFEHJMBLVFDFNNT-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.49
Rot. Bonds2

About 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran

5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 158005969) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
PubChem CID158005969
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
SMILESCC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCC2
InChIInChI=1S/2C11H14O/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h2*3-4,7-8H,5-6H2,1-2H3
InChIKeyFEHJMBLVFDFNNT-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran with MolForge

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
4-amino-3-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 66090066
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;bis(5-propan-2-yl-2,3-dihydro-1-benzofuran);7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 162037127
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran (CID 158005969) is 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran is CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCC2.
What is the InChIKey of 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is FEHJMBLVFDFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14O/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h2*3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran?
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 324.46 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 158005969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).