2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol

C13H14N2O3 — CID 137247340

IUPAC2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol
SMILESCOC1(/N=N/c2ccccc2O)C=CC=CC1O
InChIInChI=1S/C13H14N2O3/c1-18-13(9-5-4-8-12(13)17)15-14-10-6-2-3-7-11(10)16/h2-9,12,16-17H,1H3/b15-14+
InChIKeyTWYZCCASMWLRSV-CCEZHUSRSA-N
MW246.27 g/mol
LogP2.31
Rot. Bonds3

About 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol

2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol (PubChem CID 137247340) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol.

Molecular Properties

Compound Name2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol
PubChem CID137247340
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol
SMILESCOC1(/N=N/c2ccccc2O)C=CC=CC1O
InChIInChI=1S/C13H14N2O3/c1-18-13(9-5-4-8-12(13)17)15-14-10-6-2-3-7-11(10)16/h2-9,12,16-17H,1H3/b15-14+
InChIKeyTWYZCCASMWLRSV-CCEZHUSRSA-N
XLogP2.31
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol?
The IUPAC name of 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol (CID 137247340) is 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol.
What is the SMILES notation for 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol?
The canonical SMILES for 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol is COC1(/N=N/c2ccccc2O)C=CC=CC1O.
What is the InChIKey of 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol?
The InChIKey is TWYZCCASMWLRSV-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-13(9-5-4-8-12(13)17)15-14-10-6-2-3-7-11(10)16/h2-9,12,16-17H,1H3/b15-14+.
What are the key properties of 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol?
2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol has a molecular weight of 246.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-1-methoxycyclohexa-2,4-dien-1-yl)diazenyl]phenol is sourced from PubChem (CID 137247340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).