methyl 11-(4-phenyldiazenylphenoxy)undecanoate

C24H32N2O3 — CID 151541407

IUPACmethyl 11-(4-phenyldiazenylphenoxy)undecanoate
SMILESCOC(=O)CCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H32N2O3/c1-28-24(27)15-11-6-4-2-3-5-7-12-20-29-23-18-16-22(17-19-23)26-25-21-13-9-8-10-14-21/h8-10,13-14,16-19H,2-7,11-12,15,20H2,1H3/b26-25+
InChIKeyPYOAZGZMCBQBOR-OCEACIFDSA-N
MW396.53 g/mol
LogP7.16
Rot. Bonds14

About methyl 11-(4-phenyldiazenylphenoxy)undecanoate

methyl 11-(4-phenyldiazenylphenoxy)undecanoate (PubChem CID 151541407) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is methyl 11-(4-phenyldiazenylphenoxy)undecanoate.

Molecular Properties

Compound Namemethyl 11-(4-phenyldiazenylphenoxy)undecanoate
PubChem CID151541407
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Namemethyl 11-(4-phenyldiazenylphenoxy)undecanoate
SMILESCOC(=O)CCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H32N2O3/c1-28-24(27)15-11-6-4-2-3-5-7-12-20-29-23-18-16-22(17-19-23)26-25-21-13-9-8-10-14-21/h8-10,13-14,16-19H,2-7,11-12,15,20H2,1H3/b26-25+
InChIKeyPYOAZGZMCBQBOR-OCEACIFDSA-N
XLogP7.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

bis[4-[(4-decoxyphenyl)diazenyl]phenyl] tridecanedioate
CID 132525733
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
methyl 11-(4-iodophenoxy)undecanoate
CID 58773804
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
CID 139088543
methyl 4-[[4-(5-bromopentoxy)phenyl]diazenyl]benzoate
CID 139041792
[7-oxo-4-[(4-pentoxyphenyl)diazenyl]cyclohepta-1,3,5-trien-1-yl] decanoate
CID 101221648
methyl 7-[[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]amino]heptanoate
CID 111417601
phenyl 5-phenoxypentanoate
CID 54534861
phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981
methyl 10-(4-nitrophenoxy)decanoate
CID 100972359
bis(4-phenyldiazenylphenyl) docosa-10,12-diynedioate
CID 132523708

Frequently Asked Questions

What is the IUPAC name of methyl 11-(4-phenyldiazenylphenoxy)undecanoate?
The IUPAC name of methyl 11-(4-phenyldiazenylphenoxy)undecanoate (CID 151541407) is methyl 11-(4-phenyldiazenylphenoxy)undecanoate.
What is the SMILES notation for methyl 11-(4-phenyldiazenylphenoxy)undecanoate?
The canonical SMILES for methyl 11-(4-phenyldiazenylphenoxy)undecanoate is COC(=O)CCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of methyl 11-(4-phenyldiazenylphenoxy)undecanoate?
The InChIKey is PYOAZGZMCBQBOR-OCEACIFDSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-28-24(27)15-11-6-4-2-3-5-7-12-20-29-23-18-16-22(17-19-23)26-25-21-13-9-8-10-14-21/h8-10,13-14,16-19H,2-7,11-12,15,20H2,1H3/b26-25+.
What are the key properties of methyl 11-(4-phenyldiazenylphenoxy)undecanoate?
methyl 11-(4-phenyldiazenylphenoxy)undecanoate has a molecular weight of 396.53 g/mol, XLogP of 7.16, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-(4-phenyldiazenylphenoxy)undecanoate is sourced from PubChem (CID 151541407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).