3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol

C20H17ClN2O2 — CID 137200708

IUPAC3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
SMILESCc1ccc(O)c(/N=N/c2c(O)ccc(C)c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-6-8-17(24)16(10-12)22-23-20-18(25)9-7-13(2)19(20)14-4-3-5-15(21)11-14/h3-11,24-25H,1-2H3/b23-22+
InChIKeyQWEFPXIHQDKWOQ-GHVJWSGMSA-N
MW352.82 g/mol
LogP6.45
Rot. Bonds3

About 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol

3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol (PubChem CID 137200708) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
PubChem CID137200708
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
SMILESCc1ccc(O)c(/N=N/c2c(O)ccc(C)c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-6-8-17(24)16(10-12)22-23-20-18(25)9-7-13(2)19(20)14-4-3-5-15(21)11-14/h3-11,24-25H,1-2H3/b23-22+
InChIKeyQWEFPXIHQDKWOQ-GHVJWSGMSA-N
XLogP6.45
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol
CID 136862367
benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-[(3,5-dimethylphenyl)diazenyl]-4-methylphenol
CID 3520182
[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol
CID 5249734
5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 1494896
4-chloro-2-(3-methylphenyl)phenol
CID 83129691
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
[5-(3-chlorophenyl)-2-methylphenyl]methanamine
CID 115038622
1-[(2-hydroxy-5-methylphenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)naphthalen-2-ol
CID 135787784
3-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867576
4-chloro-2-(2,5-dimethylphenyl)phenol
CID 83130826

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol?
The IUPAC name of 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol (CID 137200708) is 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol.
What is the SMILES notation for 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol?
The canonical SMILES for 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol is Cc1ccc(O)c(/N=N/c2c(O)ccc(C)c2-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol?
The InChIKey is QWEFPXIHQDKWOQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12-6-8-17(24)16(10-12)22-23-20-18(25)9-7-13(2)19(20)14-4-3-5-15(21)11-14/h3-11,24-25H,1-2H3/b23-22+.
What are the key properties of 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol?
3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol has a molecular weight of 352.82 g/mol, XLogP of 6.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol is sourced from PubChem (CID 137200708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).