(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene

C21H28N2O5 — CID 126610805

IUPAC(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCCCCOc1c(/N=N/c2cc(OC)c(OC)c(OC)c2)ccc(OC)c1C
InChIInChI=1S/C21H28N2O5/c1-7-8-11-28-20-14(2)17(24-3)10-9-16(20)23-22-15-12-18(25-4)21(27-6)19(13-15)26-5/h9-10,12-13H,7-8,11H2,1-6H3/b23-22+
InChIKeyZZLPDPVEHBPKIJ-GHVJWSGMSA-N
MW388.46 g/mol
LogP5.62
Rot. Bonds10

About (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene

(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene (PubChem CID 126610805) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene.

Molecular Properties

Compound Name(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
PubChem CID126610805
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCCCCOc1c(/N=N/c2cc(OC)c(OC)c(OC)c2)ccc(OC)c1C
InChIInChI=1S/C21H28N2O5/c1-7-8-11-28-20-14(2)17(24-3)10-9-16(20)23-22-15-12-18(25-4)21(27-6)19(13-15)26-5/h9-10,12-13H,7-8,11H2,1-6H3/b23-22+
InChIKeyZZLPDPVEHBPKIJ-GHVJWSGMSA-N
XLogP5.62
TPSA70.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethoxy-3-methylphenyl)-(3-methylphenyl)diazene
CID 175389531
2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene
CID 10633685
3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
CID 136991159
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 18739111
(2,3-didodecoxyphenyl)-(3-methylphenyl)diazene
CID 175908436
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 118484582
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
diethyl-[9-[2-[4-[3-[3-methoxy-2-methyl-6-[(3,4,5-trimethoxyphenyl)diazenyl]phenoxy]propyl]piperidine-1-carbonyl]phenyl]-6-methylxanthen-3-ylidene]azanium
CID 149005350
[5-methoxy-2-methyl-4-[[2-methyl-4-(4-pentoxyphenoxy)phenyl]diazenyl]phenyl]-[4-[[2-methyl-4-(4-pentoxyphenoxy)phenyl]diazenyl]phenyl]diazene
CID 88703398
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
[4-[[2,3-dibutoxy-4-(4-butoxybenzoyl)oxyphenyl]diazenyl]phenyl] 4-butoxybenzoate
CID 102016300

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The IUPAC name of (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene (CID 126610805) is (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene.
What is the SMILES notation for (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The canonical SMILES for (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene is CCCCOc1c(/N=N/c2cc(OC)c(OC)c(OC)c2)ccc(OC)c1C.
What is the InChIKey of (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The InChIKey is ZZLPDPVEHBPKIJ-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-7-8-11-28-20-14(2)17(24-3)10-9-16(20)23-22-15-12-18(25-4)21(27-6)19(13-15)26-5/h9-10,12-13H,7-8,11H2,1-6H3/b23-22+.
What are the key properties of (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene has a molecular weight of 388.46 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene is sourced from PubChem (CID 126610805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).