2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol

C19H16O6 — CID 175399417

IUPAC2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol
SMILESO=Cc1ccccc1O.Oc1cc(-c2ccccc2)c(O)c(O)c1O
InChIInChI=1S/C12H10O4.C7H6O2/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15;8-5-6-3-1-2-4-7(6)9/h1-6,13-16H;1-5,9H
InChIKeyWOCYAWOHLNFQPY-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.38
Rot. Bonds2

About 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol

2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol (PubChem CID 175399417) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol
PubChem CID175399417
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol
SMILESO=Cc1ccccc1O.Oc1cc(-c2ccccc2)c(O)c(O)c1O
InChIInChI=1S/C12H10O4.C7H6O2/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15;8-5-6-3-1-2-4-7(6)9/h1-6,13-16H;1-5,9H
InChIKeyWOCYAWOHLNFQPY-UHFFFAOYSA-N
XLogP3.38
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 158421076
CID 158421076
2-(2-phenylphenyl)benzaldehyde
CID 11322869
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
5-chloro-2-hydroxy-3-phenylbenzaldehyde
CID 10955442
carbon monoxide;chromium;2-phenylbenzaldehyde
CID 11120708
2-hydroxybenzaldehyde;methanamine
CID 174602056
aniline;2-hydroxybenzaldehyde
CID 159847329
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol?
The IUPAC name of 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol (CID 175399417) is 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol.
What is the SMILES notation for 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol?
The canonical SMILES for 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol is O=Cc1ccccc1O.Oc1cc(-c2ccccc2)c(O)c(O)c1O.
What is the InChIKey of 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol?
The InChIKey is WOCYAWOHLNFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4.C7H6O2/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15;8-5-6-3-1-2-4-7(6)9/h1-6,13-16H;1-5,9H.
What are the key properties of 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol?
2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol has a molecular weight of 340.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol is sourced from PubChem (CID 175399417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).