(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone

C13H10O7 — CID 19910358

IUPAC(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)c1cc(O)c(O)c(O)c1O
InChIInChI=1S/C13H10O7/c14-6-1-5(2-7(15)3-6)10(17)8-4-9(16)12(19)13(20)11(8)18/h1-4,14-16,18-20H
InChIKeyRODXYMXFWNOWEC-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.15
Rot. Bonds2

About (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone

(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone (PubChem CID 19910358) has the molecular formula C13H10O7 and a molecular weight of 278.22 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone
PubChem CID19910358
Molecular FormulaC13H10O7
Molecular Weight278.22 g/mol
Exact Mass278.04
IUPAC Name(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)c1cc(O)c(O)c(O)c1O
InChIInChI=1S/C13H10O7/c14-6-1-5(2-7(15)3-6)10(17)8-4-9(16)12(19)13(20)11(8)18/h1-4,14-16,18-20H
InChIKeyRODXYMXFWNOWEC-UHFFFAOYSA-N
XLogP1.15
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.22
LogP ≤ 51.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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 (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone (CID 19910358) is (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone is O=C(c1cc(O)cc(O)c1)c1cc(O)c(O)c(O)c1O.
What is the InChIKey of (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone?
The InChIKey is RODXYMXFWNOWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O7/c14-6-1-5(2-7(15)3-6)10(17)8-4-9(16)12(19)13(20)11(8)18/h1-4,14-16,18-20H.
What are the key properties of (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone?
(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone has a molecular weight of 278.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone is sourced from PubChem (CID 19910358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).