ethane;7-methyl-2,3-dihydro-1-benzofuran

C11H16O — CID 91503061

IUPACethane;7-methyl-2,3-dihydro-1-benzofuran
SMILESCC.Cc1cccc2c1OCC2
InChIInChI=1S/C9H10O.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-2/h2-4H,5-6H2,1H3;1-2H3
InChIKeyOCPBSICILJPQTH-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.96
Rot. Bonds

About ethane;7-methyl-2,3-dihydro-1-benzofuran

ethane;7-methyl-2,3-dihydro-1-benzofuran (PubChem CID 91503061) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;7-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Nameethane;7-methyl-2,3-dihydro-1-benzofuran
PubChem CID91503061
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Nameethane;7-methyl-2,3-dihydro-1-benzofuran
SMILESCC.Cc1cccc2c1OCC2
InChIInChI=1S/C9H10O.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-2/h2-4H,5-6H2,1H3;1-2H3
InChIKeyOCPBSICILJPQTH-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
CID 158337388
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
2,2-difluoro-8-methyl-3,4-dihydrochromene
CID 118474888
7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
CID 173176078
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
ethane;7-methyl-2,3-dihydrofuro[3,2-c]pyridine
CID 163273368
8-methyl-3,4-dihydrochromen-2-one
CID 23513095
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
CID 114744044

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of ethane;7-methyl-2,3-dihydro-1-benzofuran (CID 91503061) is ethane;7-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for ethane;7-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for ethane;7-methyl-2,3-dihydro-1-benzofuran is CC.Cc1cccc2c1OCC2.
What is the InChIKey of ethane;7-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is OCPBSICILJPQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C2H6/c1-7-3-2-4-8-5-6-10-9(7)8;1-2/h2-4H,5-6H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-2,3-dihydro-1-benzofuran?
ethane;7-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 164.25 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 91503061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).