6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol

C16H22N2O6 — CID 141367843

IUPAC6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(N=NC2(OC)C=CC=C(OC)C2O)(OC)C1O
InChIInChI=1S/C16H22N2O6/c1-21-11-7-5-9-15(23-3,13(11)19)17-18-16(24-4)10-6-8-12(22-2)14(16)20/h5-10,13-14,19-20H,1-4H3
InChIKeyZYSJUPWZXJQZFZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.05
Rot. Bonds6

About 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol

6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol (PubChem CID 141367843) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol
PubChem CID141367843
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(N=NC2(OC)C=CC=C(OC)C2O)(OC)C1O
InChIInChI=1S/C16H22N2O6/c1-21-11-7-5-9-15(23-3,13(11)19)17-18-16(24-4)10-6-8-12(22-2)14(16)20/h5-10,13-14,19-20H,1-4H3
InChIKeyZYSJUPWZXJQZFZ-UHFFFAOYSA-N
XLogP1.05
TPSA102.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol (CID 141367843) is 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol is COC1=CC=CC(N=NC2(OC)C=CC=C(OC)C2O)(OC)C1O.
What is the InChIKey of 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
The InChIKey is ZYSJUPWZXJQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-21-11-7-5-9-15(23-3,13(11)19)17-18-16(24-4)10-6-8-12(22-2)14(16)20/h5-10,13-14,19-20H,1-4H3.
What are the key properties of 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol?
6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol has a molecular weight of 338.36 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-hydroxy-1,5-dimethoxycyclohexa-2,4-dien-1-yl)diazenyl]-2,6-dimethoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141367843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).