2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol

C22H30N2O2 — CID 177435074

IUPAC2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
SMILESCCCCCc1ccc(O)c(/N=N/c2cc(CCCCC)ccc2O)c1
InChIInChI=1S/C22H30N2O2/c1-3-5-7-9-17-11-13-21(25)19(15-17)23-24-20-16-18(10-8-6-4-2)12-14-22(20)26/h11-16,25-26H,3-10H2,1-2H3/b24-23+
InChIKeyAGACKBXKAFSSGW-WCWDXBQESA-N
MW354.49 g/mol
LogP6.98
Rot. Bonds10

About 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol

2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol (PubChem CID 177435074) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
PubChem CID177435074
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
SMILESCCCCCc1ccc(O)c(/N=N/c2cc(CCCCC)ccc2O)c1
InChIInChI=1S/C22H30N2O2/c1-3-5-7-9-17-11-13-21(25)19(15-17)23-24-20-16-18(10-8-6-4-2)12-14-22(20)26/h11-16,25-26H,3-10H2,1-2H3/b24-23+
InChIKeyAGACKBXKAFSSGW-WCWDXBQESA-N
XLogP6.98
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.98
H-Bond Donors ≤ 52
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

4-decyl-2-[(4-methylphenyl)diazenyl]phenol
CID 4606730
1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
CID 147004042
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
2-[(4-dodecyl-2-nitrophenyl)diazenyl]-4-methylphenol
CID 135708768
2-ethyl-4-heptylphenol
CID 58289223
2-tert-butyl-4-pentylphenol
CID 19933254
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol?
The IUPAC name of 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol (CID 177435074) is 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol.
What is the SMILES notation for 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol?
The canonical SMILES for 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol is CCCCCc1ccc(O)c(/N=N/c2cc(CCCCC)ccc2O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol?
The InChIKey is AGACKBXKAFSSGW-WCWDXBQESA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-5-7-9-17-11-13-21(25)19(15-17)23-24-20-16-18(10-8-6-4-2)12-14-22(20)26/h11-16,25-26H,3-10H2,1-2H3/b24-23+.
What are the key properties of 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol?
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol has a molecular weight of 354.49 g/mol, XLogP of 6.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol is sourced from PubChem (CID 177435074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).