1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine

C23H26N2O2 — CID 162858744

IUPAC1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
SMILESCOc1cccc2nc3c(OCC=C(C)CCC=C(C)C)cccc3nc12
InChIInChI=1S/C23H26N2O2/c1-16(2)8-5-9-17(3)14-15-27-21-13-7-11-19-23(21)25-18-10-6-12-20(26-4)22(18)24-19/h6-8,10-14H,5,9,15H2,1-4H3
InChIKeyAYBXOQNDOSRELU-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.86
Rot. Bonds7

About 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine

1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine (PubChem CID 162858744) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine.

Molecular Properties

Compound Name1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
PubChem CID162858744
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
SMILESCOc1cccc2nc3c(OCC=C(C)CCC=C(C)C)cccc3nc12
InChIInChI=1S/C23H26N2O2/c1-16(2)8-5-9-17(3)14-15-27-21-13-7-11-19-23(21)25-18-10-6-12-20(26-4)22(18)24-19/h6-8,10-14H,5,9,15H2,1-4H3
InChIKeyAYBXOQNDOSRELU-UHFFFAOYSA-N
XLogP5.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
CID 174793032
2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
CID 129320347
4-(3,7-dimethylocta-2,6-dienoxy)-3-methoxybenzoic acid
CID 54425440
4,5-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxychromen-2-one
CID 22854217
O-(3,7-dimethylocta-2,6-dienyl) 2-(3,7-dimethylocta-2,6-dienoxy)benzenecarbothioate
CID 57048892
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
acetic acid;1-methoxyphenazine
CID 174937212
methoxymethyl 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxybenzoate
CID 25066806
(E)-3-[3-methoxy-4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoic acid
CID 161410102
N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline
CID 68706568
8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-3-propan-2-yloxychromen-2-one
CID 19929290
8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4-di(propan-2-yloxy)chromen-2-one
CID 19929973

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine?
The IUPAC name of 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine (CID 162858744) is 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine.
What is the SMILES notation for 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine?
The canonical SMILES for 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine is COc1cccc2nc3c(OCC=C(C)CCC=C(C)C)cccc3nc12.
What is the InChIKey of 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine?
The InChIKey is AYBXOQNDOSRELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16(2)8-5-9-17(3)14-15-27-21-13-7-11-19-23(21)25-18-10-6-12-20(26-4)22(18)24-19/h6-8,10-14H,5,9,15H2,1-4H3.
What are the key properties of 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine?
1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine has a molecular weight of 362.47 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine is sourced from PubChem (CID 162858744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).