4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol

C16H22O3 — CID 104542076

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(c2ccc3c(c2)CCO3)CCO1
InChIInChI=1S/C16H22O3/c1-11(2)15-10-16(17,6-8-19-15)13-3-4-14-12(9-13)5-7-18-14/h3-4,9,11,15,17H,5-8,10H2,1-2H3
InChIKeyJIPMTDCRGSICFA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.64
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol

4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol (PubChem CID 104542076) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
PubChem CID104542076
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(c2ccc3c(c2)CCO3)CCO1
InChIInChI=1S/C16H22O3/c1-11(2)15-10-16(17,6-8-19-15)13-3-4-14-12(9-13)5-7-18-14/h3-4,9,11,15,17H,5-8,10H2,1-2H3
InChIKeyJIPMTDCRGSICFA-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449797
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
CID 103564717
1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
CID 106823465
7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960062
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
CID 159329974
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
CID 131076574

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol (CID 104542076) is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol is CC(C)C1CC(O)(c2ccc3c(c2)CCO3)CCO1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol?
The InChIKey is JIPMTDCRGSICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)15-10-16(17,6-8-19-15)13-3-4-14-12(9-13)5-7-18-14/h3-4,9,11,15,17H,5-8,10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol?
4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol has a molecular weight of 262.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 104542076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).