4-decyl-2-[(4-methylphenyl)diazenyl]phenol

C23H32N2O — CID 4606730

IUPAC4-decyl-2-[(4-methylphenyl)diazenyl]phenol
SMILESCCCCCCCCCCc1ccc(O)c(/N=N/c2ccc(C)cc2)c1
InChIInChI=1S/C23H32N2O/c1-3-4-5-6-7-8-9-10-11-20-14-17-23(26)22(18-20)25-24-21-15-12-19(2)13-16-21/h12-18,26H,3-11H2,1-2H3/b25-24+
InChIKeyAEFWCIYUZVPZIO-OCOZRVBESA-N
MW352.52 g/mol
LogP7.80
Rot. Bonds11

About 4-decyl-2-[(4-methylphenyl)diazenyl]phenol

4-decyl-2-[(4-methylphenyl)diazenyl]phenol (PubChem CID 4606730) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-decyl-2-[(4-methylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-decyl-2-[(4-methylphenyl)diazenyl]phenol
PubChem CID4606730
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name4-decyl-2-[(4-methylphenyl)diazenyl]phenol
SMILESCCCCCCCCCCc1ccc(O)c(/N=N/c2ccc(C)cc2)c1
InChIInChI=1S/C23H32N2O/c1-3-4-5-6-7-8-9-10-11-20-14-17-23(26)22(18-20)25-24-21-15-12-19(2)13-16-21/h12-18,26H,3-11H2,1-2H3/b25-24+
InChIKeyAEFWCIYUZVPZIO-OCOZRVBESA-N
XLogP7.80
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
CID 147004042
2-[(4-dodecyl-2-nitrophenyl)diazenyl]-4-methylphenol
CID 135708768
bis(4-decylphenyl)diazene
CID 71359462
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
4-[(4-hexylphenyl)diazenyl]-2-[2-[[5-[(4-hexylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]ethyliminomethyl]phenol
CID 136883501
2-methyl-4-octadecylphenol
CID 3022311
1-methyl-4-octylbenzene
CID 11052746
5,11,17,23-tetrakis[(4-octylphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136679492
4-nonyl-2-pentylphenol
CID 86162849
CID 175900742
CID 175900742
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328

Frequently Asked Questions

What is the IUPAC name of 4-decyl-2-[(4-methylphenyl)diazenyl]phenol?
The IUPAC name of 4-decyl-2-[(4-methylphenyl)diazenyl]phenol (CID 4606730) is 4-decyl-2-[(4-methylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-decyl-2-[(4-methylphenyl)diazenyl]phenol?
The canonical SMILES for 4-decyl-2-[(4-methylphenyl)diazenyl]phenol is CCCCCCCCCCc1ccc(O)c(/N=N/c2ccc(C)cc2)c1.
What is the InChIKey of 4-decyl-2-[(4-methylphenyl)diazenyl]phenol?
The InChIKey is AEFWCIYUZVPZIO-OCOZRVBESA-N. The full InChI is InChI=1S/C23H32N2O/c1-3-4-5-6-7-8-9-10-11-20-14-17-23(26)22(18-20)25-24-21-15-12-19(2)13-16-21/h12-18,26H,3-11H2,1-2H3/b25-24+.
What are the key properties of 4-decyl-2-[(4-methylphenyl)diazenyl]phenol?
4-decyl-2-[(4-methylphenyl)diazenyl]phenol has a molecular weight of 352.52 g/mol, XLogP of 7.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-2-[(4-methylphenyl)diazenyl]phenol is sourced from PubChem (CID 4606730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).