3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one

C17H16O3 — CID 118936108

IUPAC3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCO)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H16O3/c18-10-4-7-16-14-9-8-13(11-15(14)17(19)20-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16,18H,4,7,10H2
InChIKeyUOKFIOZDLRGHBF-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.34
Rot. Bonds4

About 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one

3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one (PubChem CID 118936108) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one
PubChem CID118936108
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCO)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H16O3/c18-10-4-7-16-14-9-8-13(11-15(14)17(19)20-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16,18H,4,7,10H2
InChIKeyUOKFIOZDLRGHBF-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one (CID 118936108) is 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one is O=C1OC(CCCO)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one?
The InChIKey is UOKFIOZDLRGHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-10-4-7-16-14-9-8-13(11-15(14)17(19)20-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16,18H,4,7,10H2.
What are the key properties of 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one?
3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 118936108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).