3-(3-hydroxypropyl)-3H-2-benzofuran-1-one

C11H12O3 — CID 15224510

IUPAC3-(3-hydroxypropyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCO)c2ccccc21
InChIInChI=1S/C11H12O3/c12-7-3-6-10-8-4-1-2-5-9(8)11(13)14-10/h1-2,4-5,10,12H,3,6-7H2
InChIKeyLUYZTQQSXIRSJG-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.67
Rot. Bonds3

About 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one

3-(3-hydroxypropyl)-3H-2-benzofuran-1-one (PubChem CID 15224510) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-3H-2-benzofuran-1-one
PubChem CID15224510
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-(3-hydroxypropyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCO)c2ccccc21
InChIInChI=1S/C11H12O3/c12-7-3-6-10-8-4-1-2-5-9(8)11(13)14-10/h1-2,4-5,10,12H,3,6-7H2
InChIKeyLUYZTQQSXIRSJG-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one (CID 15224510) is 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one is O=C1OC(CCCO)c2ccccc21.
What is the InChIKey of 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one?
The InChIKey is LUYZTQQSXIRSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-3-6-10-8-4-1-2-5-9(8)11(13)14-10/h1-2,4-5,10,12H,3,6-7H2.
What are the key properties of 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one?
3-(3-hydroxypropyl)-3H-2-benzofuran-1-one has a molecular weight of 192.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 15224510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).