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

C13H22O — CID 91201191

IUPACethane;2-methyl-2,3-dihydro-1-benzofuran
SMILESCC.CC.CC1Cc2ccccc2O1
InChIInChI=1S/C9H10O.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-5,7H,6H2,1H3;2*1-2H3
InChIKeyGDBKFJSXJOWFFC-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.06
Rot. Bonds

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

ethane;2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 91201191) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Nameethane;2-methyl-2,3-dihydro-1-benzofuran
PubChem CID91201191
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameethane;2-methyl-2,3-dihydro-1-benzofuran
SMILESCC.CC.CC1Cc2ccccc2O1
InChIInChI=1S/C9H10O.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-5,7H,6H2,1H3;2*1-2H3
InChIKeyGDBKFJSXJOWFFC-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

(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 157211355
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of ethane;2-methyl-2,3-dihydro-1-benzofuran (CID 91201191) is ethane;2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for ethane;2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for ethane;2-methyl-2,3-dihydro-1-benzofuran is CC.CC.CC1Cc2ccccc2O1.
What is the InChIKey of ethane;2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is GDBKFJSXJOWFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-5,7H,6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-2,3-dihydro-1-benzofuran?
ethane;2-methyl-2,3-dihydro-1-benzofuran 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 ethane;2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 91201191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).