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

C13H10O8 — CID 146550128

IUPAC(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(O)cc1O)c1c(O)cc(O)c(O)c1O
InChIInChI=1S/C13H10O8/c14-4-1-5(15)9(6(16)2-4)12(20)10-7(17)3-8(18)11(19)13(10)21/h1-3,14-19,21H
InChIKeyFVLSBMWQLMMQSO-UHFFFAOYSA-N
MW294.21 g/mol
LogP0.86
Rot. Bonds2

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

(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone (PubChem CID 146550128) has the molecular formula C13H10O8 and a molecular weight of 294.21 g/mol. Its IUPAC name is (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
PubChem CID146550128
Molecular FormulaC13H10O8
Molecular Weight294.21 g/mol
Exact Mass294.04
IUPAC Name(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(O)cc1O)c1c(O)cc(O)c(O)c1O
InChIInChI=1S/C13H10O8/c14-4-1-5(15)9(6(16)2-4)12(20)10-7(17)3-8(18)11(19)13(10)21/h1-3,14-19,21H
InChIKeyFVLSBMWQLMMQSO-UHFFFAOYSA-N
XLogP0.86
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.21
LogP ≤ 50.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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

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
(2,3-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
bis(6-chloro-2,3,4-trihydroxyphenyl)methanone
CID 175049716
bis(2,4-dihydroxy-6-methylphenyl)methanone
CID 23364960
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
2-(carboxymethyl)-4,6-dihydroxybenzoic acid
CID 24972403
(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
CID 19910404
(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone
CID 19910358
2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one
CID 15659412
1,3-bis(2,4,6-trihydroxyphenyl)propan-2-one
CID 156637989
3-benzoyl-2,4,6-trihydroxybenzoic acid
CID 154360327
benzene-1,2,3,4,5-pentol;ethene
CID 174601355

Frequently Asked Questions

What is the IUPAC name of (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
The IUPAC name of (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone (CID 146550128) is (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone.
What is the SMILES notation for (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
The canonical SMILES for (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone is O=C(c1c(O)cc(O)cc1O)c1c(O)cc(O)c(O)c1O.
What is the InChIKey of (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
The InChIKey is FVLSBMWQLMMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O8/c14-4-1-5(15)9(6(16)2-4)12(20)10-7(17)3-8(18)11(19)13(10)21/h1-3,14-19,21H.
What are the key properties of (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone?
(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone has a molecular weight of 294.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone is sourced from PubChem (CID 146550128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).