(2,3-didodecoxyphenyl)-(3-methylphenyl)diazene

C37H60N2O2 — CID 175908436

IUPAC(2,3-didodecoxyphenyl)-(3-methylphenyl)diazene
SMILESCCCCCCCCCCCCOc1cccc(/N=N/c2cccc(C)c2)c1OCCCCCCCCCCCC
InChIInChI=1S/C37H60N2O2/c1-4-6-8-10-12-14-16-18-20-22-30-40-36-29-25-28-35(39-38-34-27-24-26-33(3)32-34)37(36)41-31-23-21-19-17-15-13-11-9-7-5-2/h24-29,32H,4-23,30-31H2,1-3H3/b39-38+
InChIKeyLWKQIDOKYUJYQA-YMZYAJTMSA-N
MW564.90 g/mol
LogP13.01
Rot. Bonds26

About (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene

(2,3-didodecoxyphenyl)-(3-methylphenyl)diazene (PubChem CID 175908436) has the molecular formula C37H60N2O2 and a molecular weight of 564.90 g/mol. Its IUPAC name is (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene.

Molecular Properties

Compound Name(2,3-didodecoxyphenyl)-(3-methylphenyl)diazene
PubChem CID175908436
Molecular FormulaC37H60N2O2
Molecular Weight564.90 g/mol
Exact Mass564.47
IUPAC Name(2,3-didodecoxyphenyl)-(3-methylphenyl)diazene
SMILESCCCCCCCCCCCCOc1cccc(/N=N/c2cccc(C)c2)c1OCCCCCCCCCCCC
InChIInChI=1S/C37H60N2O2/c1-4-6-8-10-12-14-16-18-20-22-30-40-36-29-25-28-35(39-38-34-27-24-26-33(3)32-34)37(36)41-31-23-21-19-17-15-13-11-9-7-5-2/h24-29,32H,4-23,30-31H2,1-3H3/b39-38+
InChIKeyLWKQIDOKYUJYQA-YMZYAJTMSA-N
XLogP13.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.90
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1-methyl-3-pentadecoxybenzene
CID 154641822
2,3-dipentoxyphenol
CID 57426098
1-hexadecoxy-3-methylbenzene
CID 154641790
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
1,4,5,8-tetrahexoxyanthracene
CID 101142141
(3-chloro-4-decoxyphenyl)-phenyldiazene
CID 101410584
1,5,9,10-tetra(tridecoxy)anthracene
CID 139930203
1-nonoxyanthracene
CID 86193569
2-(2-tetradecoxyphenyl)guanidine
CID 154378481

Frequently Asked Questions

What is the IUPAC name of (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene?
The IUPAC name of (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene (CID 175908436) is (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene.
What is the SMILES notation for (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene?
The canonical SMILES for (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene is CCCCCCCCCCCCOc1cccc(/N=N/c2cccc(C)c2)c1OCCCCCCCCCCCC.
What is the InChIKey of (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene?
The InChIKey is LWKQIDOKYUJYQA-YMZYAJTMSA-N. The full InChI is InChI=1S/C37H60N2O2/c1-4-6-8-10-12-14-16-18-20-22-30-40-36-29-25-28-35(39-38-34-27-24-26-33(3)32-34)37(36)41-31-23-21-19-17-15-13-11-9-7-5-2/h24-29,32H,4-23,30-31H2,1-3H3/b39-38+.
What are the key properties of (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene?
(2,3-didodecoxyphenyl)-(3-methylphenyl)diazene has a molecular weight of 564.90 g/mol, XLogP of 13.01, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-didodecoxyphenyl)-(3-methylphenyl)diazene is sourced from PubChem (CID 175908436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).