1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol

C13H18O3 — CID 103448783

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cccc2c1OCC2
InChIInChI=1S/C13H18O3/c1-3-13(2,15)12(14)10-6-4-5-9-7-8-16-11(9)10/h4-6,12,14-15H,3,7-8H2,1-2H3
InChIKeyGEPLWLRJPXMOIY-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.82
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol (PubChem CID 103448783) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
PubChem CID103448783
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cccc2c1OCC2
InChIInChI=1S/C13H18O3/c1-3-13(2,15)12(14)10-6-4-5-9-7-8-16-11(9)10/h4-6,12,14-15H,3,7-8H2,1-2H3
InChIKeyGEPLWLRJPXMOIY-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114744642
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
[1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutyl]hydrazine
CID 105341923
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
CID 114744695
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114745701
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
CID 114744598

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol (CID 103448783) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol?
The InChIKey is GEPLWLRJPXMOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-13(2,15)12(14)10-6-4-5-9-7-8-16-11(9)10/h4-6,12,14-15H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol has a molecular weight of 222.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).