(3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one

C16H12O4 — CID 2187607

IUPAC(3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)c1cccc(O)c1
InChIInChI=1S/C16H12O4/c17-11-5-3-4-10(8-11)14(18)9-15-12-6-1-2-7-13(12)16(19)20-15/h1-8,15,17H,9H2/t15-/m1/s1
InChIKeyUXGAVKWVJMBOFE-OAHLLOKOSA-N
MW268.27 g/mol
LogP2.88
Rot. Bonds3

About (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one

(3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one (PubChem CID 2187607) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
PubChem CID2187607
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)c1cccc(O)c1
InChIInChI=1S/C16H12O4/c17-11-5-3-4-10(8-11)14(18)9-15-12-6-1-2-7-13(12)16(19)20-15/h1-8,15,17H,9H2/t15-/m1/s1
InChIKeyUXGAVKWVJMBOFE-OAHLLOKOSA-N
XLogP2.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]benzonitrile
CID 66550928
3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2731394
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3H-2-benzofuran-1-one
CID 15619731
2-[(1S)-5-hydroxy-3-oxo-1H-2-benzofuran-1-yl]acetic acid
CID 800899
3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 127046240
N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 16741594
3-[2-oxo-2-(2,3,4-trichlorophenyl)ethyl]-3H-2-benzofuran-1-one
CID 54341151
(3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 6925216
(3R)-3-[2-(4-imidazol-1-ylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 1487843
N-cyclopropyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4791695
N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 7986718
3-(3-hydroxyphenyl)-3-oxopropanal
CID 115012898

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one (CID 2187607) is (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one is O=C(C[C@H]1OC(=O)c2ccccc21)c1cccc(O)c1.
What is the InChIKey of (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
The InChIKey is UXGAVKWVJMBOFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12O4/c17-11-5-3-4-10(8-11)14(18)9-15-12-6-1-2-7-13(12)16(19)20-15/h1-8,15,17H,9H2/t15-/m1/s1.
What are the key properties of (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one?
(3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one has a molecular weight of 268.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 2187607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).