6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one

C20H14O4 — CID 160523053

IUPAC6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one
SMILESO=C1c2ccc(O)cc2OC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H14O4/c21-14-9-10-17-18(12-14)24-20(19(17)22)13-5-4-8-16(11-13)23-15-6-2-1-3-7-15/h1-12,20-21H
InChIKeyQUNKUIZCSHFOMJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.50
Rot. Bonds3

About 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one

6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one (PubChem CID 160523053) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one
PubChem CID160523053
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one
SMILESO=C1c2ccc(O)cc2OC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H14O4/c21-14-9-10-17-18(12-14)24-20(19(17)22)13-5-4-8-16(11-13)23-15-6-2-1-3-7-15/h1-12,20-21H
InChIKeyQUNKUIZCSHFOMJ-UHFFFAOYSA-N
XLogP4.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
(2R)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2320255
7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 620596
(2S)-7-hydroxy-2-phenyl-4H-chromen-3-one
CID 70979390
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one
CID 10754217
(2S,3R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
CID 36690361
6-hydroxy-2-(3-pyridin-2-yloxyphenyl)-2,3-dihydrochromen-4-one
CID 69016686
methyl 6-hydroxy-3-oxo-1-benzofuran-2-carboxylate
CID 144933178
6-amino-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 172562227
3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one
CID 169220063
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one?
The IUPAC name of 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one (CID 160523053) is 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one.
What is the SMILES notation for 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one?
The canonical SMILES for 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one is O=C1c2ccc(O)cc2OC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one?
The InChIKey is QUNKUIZCSHFOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-14-9-10-17-18(12-14)24-20(19(17)22)13-5-4-8-16(11-13)23-15-6-2-1-3-7-15/h1-12,20-21H.
What are the key properties of 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one?
6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one has a molecular weight of 318.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(3-phenoxyphenyl)-1-benzofuran-3-one is sourced from PubChem (CID 160523053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).