1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol

C13H18O3 — CID 79567818

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18O3/c1-9(2)16-8-12(14)10-3-4-13-11(7-10)5-6-15-13/h3-4,7,9,12,14H,5-6,8H2,1-2H3
InChIKeyUVEGGNKLHLLYFQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.08
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol

1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol (PubChem CID 79567818) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
PubChem CID79567818
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18O3/c1-9(2)16-8-12(14)10-3-4-13-11(7-10)5-6-15-13/h3-4,7,9,12,14H,5-6,8H2,1-2H3
InChIKeyUVEGGNKLHLLYFQ-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377869
1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol
CID 79734096
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771401
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 63426478
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol (CID 79567818) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol?
The InChIKey is UVEGGNKLHLLYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)16-8-12(14)10-3-4-13-11(7-10)5-6-15-13/h3-4,7,9,12,14H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol has a molecular weight of 222.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 79567818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).