7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one

C15H12O4 — CID 162853443

IUPAC7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(Cc2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C15H12O4/c16-10-6-4-9(5-7-10)8-13-11-2-1-3-12(17)14(11)15(18)19-13/h1-7,13,16-17H,8H2
InChIKeyIDEOLCKUILXURA-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.55
Rot. Bonds2

About 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one

7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one (PubChem CID 162853443) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one
PubChem CID162853443
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(Cc2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C15H12O4/c16-10-6-4-9(5-7-10)8-13-11-2-1-3-12(17)14(11)15(18)19-13/h1-7,13,16-17H,8H2
InChIKeyIDEOLCKUILXURA-UHFFFAOYSA-N
XLogP2.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 162853444
3-butyl-7-hydroxy-3H-2-benzofuran-1-one
CID 10679779
(3R)-3-ethyl-6,7-dihydroxy-3H-2-benzofuran-1-one
CID 155818936
8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
CID 163076287
2-[4-[2-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-2-oxoethyl]phenyl]acetic acid
CID 10525136
3-but-1-enyl-7-hydroxy-3H-2-benzofuran-1-one
CID 141245869
1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one
CID 10381114
4,8-dihydroxy-3-(2-hydroxypropyl)-3,4-dihydroisochromen-1-one
CID 163155632
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one
CID 10574142
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
1-butyl-5-hydroxy-3-oxo-1H-2-benzofuran-4-carbaldehyde
CID 178142993

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one?
The IUPAC name of 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one (CID 162853443) is 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one is O=C1OC(Cc2ccc(O)cc2)c2cccc(O)c21.
What is the InChIKey of 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one?
The InChIKey is IDEOLCKUILXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-6-4-9(5-7-10)8-13-11-2-1-3-12(17)14(11)15(18)19-13/h1-7,13,16-17H,8H2.
What are the key properties of 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one?
7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one has a molecular weight of 256.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 162853443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).