(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone

C26H20O8 — CID 19931686

IUPAC(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(O)c(O)c1.O=C(c1cccc(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/2C13H10O4/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9;14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h2*1-7,14-16H
InChIKeyQRBUOWFGUMAIQA-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.07
Rot. Bonds4

About (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone

(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone (PubChem CID 19931686) has the molecular formula C26H20O8 and a molecular weight of 460.44 g/mol. Its IUPAC name is (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
PubChem CID19931686
Molecular FormulaC26H20O8
Molecular Weight460.44 g/mol
Exact Mass460.12
IUPAC Name(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(O)c(O)c1.O=C(c1cccc(O)c1)c1ccc(O)c(O)c1
InChIInChI=1S/2C13H10O4/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9;14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h2*1-7,14-16H
InChIKeyQRBUOWFGUMAIQA-UHFFFAOYSA-N
XLogP4.07
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.44
LogP ≤ 54.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone
CID 19931688
[4-(4-hydroxyphenoxy)phenyl]-(3-hydroxyphenyl)methanone
CID 86171733
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 56969692
[4-(3-chloro-4-hydroxyphenyl)phenyl]-(3-hydroxyphenyl)methanone
CID 56969694
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
CID 23509276
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
3-(4-hydroxybenzoyl)benzenesulfinate
CID 174290767
(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 19890098
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone (CID 19931686) is (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1.O=C(c1cccc(O)c1)c1ccc(O)c(O)c1.
What is the InChIKey of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone?
The InChIKey is QRBUOWFGUMAIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10O4/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9;14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h2*1-7,14-16H.
What are the key properties of (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone?
(3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone has a molecular weight of 460.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxyphenyl)-(3-hydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 19931686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).