2,3-dihydro-1-benzofuran;ethane;propane

C13H22O — CID 91022099

IUPAC2,3-dihydro-1-benzofuran;ethane;propane
SMILESCC.CCC.c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.C3H8.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-3-2;1-2/h1-4H,5-6H2;3H2,1-2H3;1-2H3
InChIKeyQWOAPUNBUYPVAJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.06
Rot. Bonds

About 2,3-dihydro-1-benzofuran;ethane;propane

2,3-dihydro-1-benzofuran;ethane;propane (PubChem CID 91022099) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran;ethane;propane.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran;ethane;propane
PubChem CID91022099
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,3-dihydro-1-benzofuran;ethane;propane
SMILESCC.CCC.c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O.C3H8.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-3-2;1-2/h1-4H,5-6H2;3H2,1-2H3;1-2H3
InChIKeyQWOAPUNBUYPVAJ-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1-benzofuran;ethane
CID 54441538
bromomethane;2,3-dihydro-1-benzofuran
CID 69259048
CID 163793293
CID 163793293
3,4-dihydro-2H-chromene;ethane
CID 91076984
1-chloropentane;2,3-dihydro-1-benzofuran
CID 175276698
1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
CID 158598846
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
CID 162269581
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
CID 158908593

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran;ethane;propane?
The IUPAC name of 2,3-dihydro-1-benzofuran;ethane;propane (CID 91022099) is 2,3-dihydro-1-benzofuran;ethane;propane.
What is the SMILES notation for 2,3-dihydro-1-benzofuran;ethane;propane?
The canonical SMILES for 2,3-dihydro-1-benzofuran;ethane;propane is CC.CCC.c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran;ethane;propane?
The InChIKey is QWOAPUNBUYPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C3H8.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-3-2;1-2/h1-4H,5-6H2;3H2,1-2H3;1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran;ethane;propane?
2,3-dihydro-1-benzofuran;ethane;propane has a molecular weight of 194.32 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran;ethane;propane is sourced from PubChem (CID 91022099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).