ethane;3,3,5-trimethyl-1H-2-benzofuran

C13H20O — CID 143240840

IUPACethane;3,3,5-trimethyl-1H-2-benzofuran
SMILESCC.Cc1ccc2c(c1)C(C)(C)OC2
InChIInChI=1S/C11H14O.C2H6/c1-8-4-5-9-7-12-11(2,3)10(9)6-8;1-2/h4-6H,7H2,1-3H3;1-2H3
InChIKeyGTFGCIOQVXASLC-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.79
Rot. Bonds

About ethane;3,3,5-trimethyl-1H-2-benzofuran

ethane;3,3,5-trimethyl-1H-2-benzofuran (PubChem CID 143240840) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;3,3,5-trimethyl-1H-2-benzofuran.

Molecular Properties

Compound Nameethane;3,3,5-trimethyl-1H-2-benzofuran
PubChem CID143240840
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;3,3,5-trimethyl-1H-2-benzofuran
SMILESCC.Cc1ccc2c(c1)C(C)(C)OC2
InChIInChI=1S/C11H14O.C2H6/c1-8-4-5-9-7-12-11(2,3)10(9)6-8;1-2/h4-6H,7H2,1-3H3;1-2H3
InChIKeyGTFGCIOQVXASLC-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 144945393
3,3-dimethyl-1H-2-benzofuran-5-amine
CID 143173521
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 126553087
3,3-dimethyl-1H-2-benzofuran-5-carbaldehyde
CID 86639542
4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
CID 174712977
2-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
CID 174712978
4-heptan-4-yl-3,3,6-trimethyl-1H-isochromen-4-ol
CID 143203236
2-(3,7-dimethyl-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanamine
CID 115062966
2,2,3,3,5-pentamethyl-1H-isoindol-2-ium
CID 59439851
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 126683281

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,5-trimethyl-1H-2-benzofuran?
The IUPAC name of ethane;3,3,5-trimethyl-1H-2-benzofuran (CID 143240840) is ethane;3,3,5-trimethyl-1H-2-benzofuran.
What is the SMILES notation for ethane;3,3,5-trimethyl-1H-2-benzofuran?
The canonical SMILES for ethane;3,3,5-trimethyl-1H-2-benzofuran is CC.Cc1ccc2c(c1)C(C)(C)OC2.
What is the InChIKey of ethane;3,3,5-trimethyl-1H-2-benzofuran?
The InChIKey is GTFGCIOQVXASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-8-4-5-9-7-12-11(2,3)10(9)6-8;1-2/h4-6H,7H2,1-3H3;1-2H3.
What are the key properties of ethane;3,3,5-trimethyl-1H-2-benzofuran?
ethane;3,3,5-trimethyl-1H-2-benzofuran has a molecular weight of 192.30 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,5-trimethyl-1H-2-benzofuran is sourced from PubChem (CID 143240840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).