2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane

C15H26O — CID 145338242

IUPAC2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
SMILESCC.CCC.Cc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C10H12O.C3H8.C2H6/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-3-2;1-2/h3-5,8H,6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyASUGOSRLVWAICA-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.76
Rot. Bonds

About 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane

2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane (PubChem CID 145338242) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane.

Molecular Properties

Compound Name2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
PubChem CID145338242
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
SMILESCC.CCC.Cc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C10H12O.C3H8.C2H6/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-3-2;1-2/h3-5,8H,6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyASUGOSRLVWAICA-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane
CID 145338272
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
5-[bromo-(2-chloro-4-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 106863093
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
2-[2,2-bis(bromomethyl)butyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 79455391
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane?
The IUPAC name of 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane (CID 145338242) is 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane.
What is the SMILES notation for 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane?
The canonical SMILES for 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane is CC.CCC.Cc1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane?
The InChIKey is ASUGOSRLVWAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C3H8.C2H6/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-3-2;1-2/h3-5,8H,6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane?
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane has a molecular weight of 222.37 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane is sourced from PubChem (CID 145338242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).