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

C16H14O3 — CID 118936445

IUPAC3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one
SMILESO=C1OC(CCO)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H14O3/c17-9-8-15-13-7-6-12(10-14(13)16(18)19-15)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2
InChIKeyBEZDVQGQOSBCRG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.95
Rot. Bonds3

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

3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one (PubChem CID 118936445) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one
PubChem CID118936445
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one
SMILESO=C1OC(CCO)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H14O3/c17-9-8-15-13-7-6-12(10-14(13)16(18)19-15)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2
InChIKeyBEZDVQGQOSBCRG-UHFFFAOYSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxypropyl)-6-phenyl-3H-2-benzofuran-1-one
CID 118936108
3-(3-hydroxypropyl)-3H-2-benzofuran-1-one
CID 15224510
6-[bis(2-hydroxyethyl)amino]-3-butyl-3H-2-benzofuran-1-one
CID 23275719
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
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
5-[4-(3-oxo-1a,7b-dihydrooxireno[2,3-c]isochromen-5-yl)phenyl]-2-benzofuran-1,3-dione
CID 147780935
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-ethyl-2,4-diphenylbenzene
CID 59359551
3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one
CID 54723596

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one (CID 118936445) is 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one is O=C1OC(CCO)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one?
The InChIKey is BEZDVQGQOSBCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-9-8-15-13-7-6-12(10-14(13)16(18)19-15)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2.
What are the key properties of 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one?
3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-phenyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 118936445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).