6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol

C11H14O3 — CID 14484893

IUPAC6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOCCCc1cc2c(cc1O)CCO2
InChIInChI=1S/C11H14O3/c12-4-1-2-8-7-11-9(3-5-14-11)6-10(8)13/h6-7,12-13H,1-5H2
InChIKeyNBCPEELHRMPYFF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.25
Rot. Bonds3

About 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol

6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484893) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484893
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESOCCCc1cc2c(cc1O)CCO2
InChIInChI=1S/C11H14O3/c12-4-1-2-8-7-11-9(3-5-14-11)6-10(8)13/h6-7,12-13H,1-5H2
InChIKeyNBCPEELHRMPYFF-UHFFFAOYSA-N
XLogP1.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-[3-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol
CID 14484910
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol
CID 175078210
3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]propan-1-ol
CID 91665287
5-chloro-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117363634
8-(3-aminopropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117319795
3-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117470162
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
CID 159893574
2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile
CID 54040786
6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane
CID 22159432
6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-5-ol
CID 117277759

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol (CID 14484893) is 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol is OCCCc1cc2c(cc1O)CCO2.
What is the InChIKey of 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is NBCPEELHRMPYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-4-1-2-8-7-11-9(3-5-14-11)6-10(8)13/h6-7,12-13H,1-5H2.
What are the key properties of 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol?
6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 194.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).