3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol

C16H18N2O5 — CID 136991159

IUPAC3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
SMILESCOc1cc(O)ccc1/N=N/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H18N2O5/c1-20-13-9-11(19)5-6-12(13)18-17-10-7-14(21-2)16(23-4)15(8-10)22-3/h5-9,19H,1-4H3/b18-17+
InChIKeyANDQVPGPWBLDOR-ISLYRVAYSA-N
MW318.33 g/mol
LogP3.84
Rot. Bonds6

About 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol

3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol (PubChem CID 136991159) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
PubChem CID136991159
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
SMILESCOc1cc(O)ccc1/N=N/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H18N2O5/c1-20-13-9-11(19)5-6-12(13)18-17-10-7-14(21-2)16(23-4)15(8-10)22-3/h5-9,19H,1-4H3/b18-17+
InChIKeyANDQVPGPWBLDOR-ISLYRVAYSA-N
XLogP3.84
TPSA81.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol?
The IUPAC name of 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol (CID 136991159) is 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol.
What is the SMILES notation for 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol?
The canonical SMILES for 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol is COc1cc(O)ccc1/N=N/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol?
The InChIKey is ANDQVPGPWBLDOR-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-20-13-9-11(19)5-6-12(13)18-17-10-7-14(21-2)16(23-4)15(8-10)22-3/h5-9,19H,1-4H3/b18-17+.
What are the key properties of 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol?
3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol has a molecular weight of 318.33 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol is sourced from PubChem (CID 136991159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).