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

Butylphthalide
CID 61361
Trimellitic anhydride
CID 11089
4-Methylphthalic anhydride
CID 88069
4,4'-Carbonyldiphthalic anhydride
CID 75498
5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone
CID 75494
3-Phenylphthalide
CID 95365
Butylphthalide, (R)-
CID 9990075
3-(4-methylbenzylidene)-2-benzofuran-1(3H)-one
CID 678302
(-)-3-Butylphthalide
CID 11116832
Benzalphthalide, (Z)-
CID 642371
Benzalphthalide, (E)-
CID 700611
3,6-Dimethylphthalic anhydride
CID 21616

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).