[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene

C21H19ClN2O — CID 10736623

IUPAC[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2ccc(OCc3ccc(Cl)cc3)c(C)c2)cc1
InChIInChI=1S/C21H19ClN2O/c1-15-3-9-19(10-4-15)23-24-20-11-12-21(16(2)13-20)25-14-17-5-7-18(22)8-6-17/h3-13H,14H2,1-2H3/b24-23+
InChIKeyKHQGKIVXOUKYDN-WCWDXBQESA-N
MW350.85 g/mol
LogP6.95
Rot. Bonds5

About [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene

[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene (PubChem CID 10736623) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene
PubChem CID10736623
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2ccc(OCc3ccc(Cl)cc3)c(C)c2)cc1
InChIInChI=1S/C21H19ClN2O/c1-15-3-9-19(10-4-15)23-24-20-11-12-21(16(2)13-20)25-14-17-5-7-18(22)8-6-17/h3-13H,14H2,1-2H3/b24-23+
InChIKeyKHQGKIVXOUKYDN-WCWDXBQESA-N
XLogP6.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide
CID 63676426
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
3-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214756
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
N-(1-amino-2,2,2-trifluoroethylidene)-4-[(4-chlorophenyl)methoxy]-3-methylbenzenecarbothioamide
CID 142185021

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene (CID 10736623) is [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene is Cc1ccc(/N=N/c2ccc(OCc3ccc(Cl)cc3)c(C)c2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene?
The InChIKey is KHQGKIVXOUKYDN-WCWDXBQESA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-15-3-9-19(10-4-15)23-24-20-11-12-21(16(2)13-20)25-14-17-5-7-18(22)8-6-17/h3-13H,14H2,1-2H3/b24-23+.
What are the key properties of [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene?
[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene has a molecular weight of 350.85 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene is sourced from PubChem (CID 10736623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).