(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone

C13H10O6 — CID 57131644

IUPAC(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)c1c(O)ccc(O)c1O
InChIInChI=1S/C13H10O6/c14-6-1-2-7(10(17)5-6)12(18)11-8(15)3-4-9(16)13(11)19/h1-5,14-17,19H
InChIKeyJWBKCUIAOCHPBU-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.45
Rot. Bonds2

About (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone

(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone (PubChem CID 57131644) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
PubChem CID57131644
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)c1c(O)ccc(O)c1O
InChIInChI=1S/C13H10O6/c14-6-1-2-7(10(17)5-6)12(18)11-8(15)3-4-9(16)13(11)19/h1-5,14-17,19H
InChIKeyJWBKCUIAOCHPBU-UHFFFAOYSA-N
XLogP1.45
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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Related Compounds

2,4-dihydroxybenzoic acid
CID 1491
(3,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 129260082
(2,3-dihydroxyphenyl)-(2,3,4,5,6-pentahydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4,5,6-pentahydroxyphenyl)methanone;(2,3,4,6-tetrahydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,3,4,6-tetrahydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone;(2,3,5,6-tetrahydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,3,5,6-tetrahydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 161375708
(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
CID 69457104
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
(3,5-ditert-butylphenyl)-(2,4-dihydroxyphenyl)methanone
CID 18186012
(2,4-dihydroxyphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 66596654
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide
CID 134996716
bis(2,4,6-trihydroxyphenyl)methanone;(2,3,5-trihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone;bis((2,4,5-trihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone)
CID 158519413
(2,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(4-hydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(4-hydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,3,4,5-tetrahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,3,4-trihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 157438816
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone (CID 57131644) is (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone is O=C(c1ccc(O)cc1O)c1c(O)ccc(O)c1O.
What is the InChIKey of (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone?
The InChIKey is JWBKCUIAOCHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c14-6-1-2-7(10(17)5-6)12(18)11-8(15)3-4-9(16)13(11)19/h1-5,14-17,19H.
What are the key properties of (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone?
(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone has a molecular weight of 262.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone is sourced from PubChem (CID 57131644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).