6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol

C16H24O2 — CID 65442461

IUPAC6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
SMILESCC(O)CC(C)(C)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H24O2/c1-12(17)11-16(2,3)8-6-13-4-5-15-14(10-13)7-9-18-15/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyOUBPOEXHHLXLBG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.35
Rot. Bonds5

About 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol

6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol (PubChem CID 65442461) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
PubChem CID65442461
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
SMILESCC(O)CC(C)(C)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H24O2/c1-12(17)11-16(2,3)8-6-13-4-5-15-14(10-13)7-9-18-15/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyOUBPOEXHHLXLBG-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
CID 113376192
4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
CID 65446028
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 115802823
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 143438083
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol (CID 65442461) is 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol is CC(O)CC(C)(C)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol?
The InChIKey is OUBPOEXHHLXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(17)11-16(2,3)8-6-13-4-5-15-14(10-13)7-9-18-15/h4-5,10,12,17H,6-9,11H2,1-3H3.
What are the key properties of 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol?
6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol is sourced from PubChem (CID 65442461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).