2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol

C20H25ClN2O2 — CID 136799593

IUPAC2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C20H25ClN2O2/c1-2-3-4-5-6-7-14-25-18-12-13-19(20(24)15-18)23-22-17-10-8-16(21)9-11-17/h8-13,15,24H,2-7,14H2,1H3/b23-22+
InChIKeyIROMJWILMVSSAM-GHVJWSGMSA-N
MW360.89 g/mol
LogP7.20
Rot. Bonds10

About 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol

2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol (PubChem CID 136799593) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol
PubChem CID136799593
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C20H25ClN2O2/c1-2-3-4-5-6-7-14-25-18-12-13-19(20(24)15-18)23-22-17-10-8-16(21)9-11-17/h8-13,15,24H,2-7,14H2,1H3/b23-22+
InChIKeyIROMJWILMVSSAM-GHVJWSGMSA-N
XLogP7.20
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 57.20
H-Bond Donors ≤ 51
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-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
5-butoxy-2-[[4-[4-[4-[(4-butoxy-2-hydroxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenol;(4-butoxy-2-chlorophenyl)-[4-[4-[4-[(4-butoxy-2-chlorophenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[3-chloro-4-[[4-[4-[4-[[2-chloro-4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol;(4-hexoxyphenyl)-[4-[4-[4-[(4-hexoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[4-[[4-[4-[4-[[4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol
CID 159672556
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
2-[(2,6-dimethylphenyl)diazenyl]-5-octoxyphenol
CID 136799597
(4-butylphenyl)-(2-chloro-4-octoxyphenyl)diazene
CID 2753424
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
2-[[4-chloro-2-[(2-hydroxy-4-tetradecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-tetradecoxyphenol
CID 136754183
2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
CID 136827510
4-hexoxybenzene-1,2-diol
CID 23459322
[4-[(4-chlorophenyl)diazenyl]phenyl] 3-[(4-hexoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzoate
CID 136726189
CID 136836012
CID 136836012

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol (CID 136799593) is 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol is CCCCCCCCOc1ccc(/N=N/c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol?
The InChIKey is IROMJWILMVSSAM-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-2-3-4-5-6-7-14-25-18-12-13-19(20(24)15-18)23-22-17-10-8-16(21)9-11-17/h8-13,15,24H,2-7,14H2,1H3/b23-22+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol?
2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol has a molecular weight of 360.89 g/mol, XLogP of 7.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]-5-octoxyphenol is sourced from PubChem (CID 136799593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).