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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Related Compounds

3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one
CID 118936445
3-(3-hydroxypropyl)-3H-2-benzofuran-1-one
CID 15224510
6-[bis(2-hydroxyethyl)amino]-3-butyl-3H-2-benzofuran-1-one
CID 23275719
(3S)-5-fluoro-3-[3-[(1R)-3-oxo-5-phenyl-1H-2-benzofuran-1-yl]propylamino]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 118936705
6-(5-hydroxypentyl)-6H-benzo[c][1]benzoxepin-11-one
CID 70402164
3-methyl-5-phenyl-3H-2-benzofuran-1-one
CID 156634923
2-[(1S)-5-hydroxy-3-oxo-1H-2-benzofuran-1-yl]acetic acid
CID 800899
3-butyl-6-[3-(2-hydroxyphenyl)-5-methylpyrazol-1-yl]-3H-2-benzofuran-1-one
CID 177380307
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
2-[(1S,5R)-1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid
CID 782715
3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one
CID 23439119

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).