2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone

C14H12O4 — CID 11817393

IUPAC2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1cc(O)cc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H12O4/c15-11-3-1-10(2-4-11)14(18)7-9-5-12(16)8-13(17)6-9/h1-6,8,15-17H,7H2
InChIKeyOQYZHGAYVSAUQG-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.23
Rot. Bonds3

About 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone

2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone (PubChem CID 11817393) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
PubChem CID11817393
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1cc(O)cc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H12O4/c15-11-3-1-10(2-4-11)14(18)7-9-5-12(16)8-13(17)6-9/h1-6,8,15-17H,7H2
InChIKeyOQYZHGAYVSAUQG-UHFFFAOYSA-N
XLogP2.23
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Phloretin
CID 4788
4'-Hydroxyacetophenone
CID 7469
Butein
CID 5281222
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
2,2'-Dihydroxy-4-methoxybenzophenone
CID 8569
Isoliquiritigenin
CID 638278
2,4-Dihydroxybenzophenone
CID 8572
2',4,4',6'-Tetrahydroxychalcone
CID 5280960
2',4',6'-Trihydroxyacetophenone
CID 68073
2',4'-Dihydroxyacetophenone
CID 6990
4,4'-Dihydroxybenzophenone
CID 69150
4-Hydroxybenzophenone
CID 14347

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone (CID 11817393) is 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone is O=C(Cc1cc(O)cc(O)c1)c1ccc(O)cc1.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone?
The InChIKey is OQYZHGAYVSAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-11-3-1-10(2-4-11)14(18)7-9-5-12(16)8-13(17)6-9/h1-6,8,15-17H,7H2.
What are the key properties of 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone?
2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone has a molecular weight of 244.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 11817393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).