6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran

C13H18O — CID 59832132

IUPAC6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)Cc1ccc2c(c1)OCC2
InChIInChI=1S/C13H18O/c1-13(2,3)9-10-4-5-11-6-7-14-12(11)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyNGUUASWKGRIWDS-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.21
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran

6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran (PubChem CID 59832132) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
PubChem CID59832132
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)Cc1ccc2c(c1)OCC2
InChIInChI=1S/C13H18O/c1-13(2,3)9-10-4-5-11-6-7-14-12(11)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyNGUUASWKGRIWDS-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
CID 131026060
2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 105426380
1-amino-2-(2,3-dihydro-1-benzofuran-6-yl)propan-2-ol
CID 82401989
2-(2,3-dihydro-1-benzofuran-6-yl)-2-fluoropropan-1-amine
CID 105426382
2-(2,3-dihydro-1-benzofuran-6-ylmethyl)cyclopentan-1-amine
CID 82393396
5-(2,2-dimethylpropyl)-3H-2-benzofuran-1-one
CID 137394582
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
6-(2-isocyanatopropan-2-yl)-2,3-dihydro-1-benzofuran
CID 105455223

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran (CID 59832132) is 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran is CC(C)(C)Cc1ccc2c(c1)OCC2.
What is the InChIKey of 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran?
The InChIKey is NGUUASWKGRIWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)9-10-4-5-11-6-7-14-12(11)8-10/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran?
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran has a molecular weight of 190.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 59832132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).