2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone

C14H12O5 — CID 12693698

IUPAC2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)c1cc(O)c(O)cc1O
InChIInChI=1S/C14H12O5/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,15,17-19H,5H2
InChIKeyZSNPXDOZFBJHSP-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.93
Rot. Bonds3

About 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone

2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone (PubChem CID 12693698) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone
PubChem CID12693698
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)c1cc(O)c(O)cc1O
InChIInChI=1S/C14H12O5/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,15,17-19H,5H2
InChIKeyZSNPXDOZFBJHSP-UHFFFAOYSA-N
XLogP1.93
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone (CID 12693698) is 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone is O=C(Cc1ccc(O)cc1)c1cc(O)c(O)cc1O.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone?
The InChIKey is ZSNPXDOZFBJHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,15,17-19H,5H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone?
2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone has a molecular weight of 260.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)ethanone is sourced from PubChem (CID 12693698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).