(4-methylphenyl)-propoxydiazene

C10H14N2O — CID 176847067

IUPAC(4-methylphenyl)-propoxydiazene
SMILESCCCO/N=N/c1ccc(C)cc1
InChIInChI=1S/C10H14N2O/c1-3-8-13-12-11-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b12-11+
InChIKeyBRLKDKSZZDQUAH-VAWYXSNFSA-N
MW178.24 g/mol
LogP3.42
Rot. Bonds4

About (4-methylphenyl)-propoxydiazene

(4-methylphenyl)-propoxydiazene (PubChem CID 176847067) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (4-methylphenyl)-propoxydiazene.

Molecular Properties

Compound Name(4-methylphenyl)-propoxydiazene
PubChem CID176847067
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(4-methylphenyl)-propoxydiazene
SMILESCCCO/N=N/c1ccc(C)cc1
InChIInChI=1S/C10H14N2O/c1-3-8-13-12-11-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b12-11+
InChIKeyBRLKDKSZZDQUAH-VAWYXSNFSA-N
XLogP3.42
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(4-methylphenyl)diazene
CID 10389
octoxy(phenyl)diazene
CID 19023895
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 91223806
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
ethyl 2-[(4-methylphenyl)diazenyl]-3-oxo-3-phenylpropanoate
CID 54357705
[4-(2-methylbutoxy)phenyl]-(4-methylphenyl)diazene
CID 20667899
(4-methylphenyl)-(1-propylsulfanylethenyl)diazene
CID 130311791
12-[4-[(4-methylphenyl)diazenyl]phenoxy]dodecane-1-thiol
CID 101369217
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-propoxydiazene?
The IUPAC name of (4-methylphenyl)-propoxydiazene (CID 176847067) is (4-methylphenyl)-propoxydiazene.
What is the SMILES notation for (4-methylphenyl)-propoxydiazene?
The canonical SMILES for (4-methylphenyl)-propoxydiazene is CCCO/N=N/c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-propoxydiazene?
The InChIKey is BRLKDKSZZDQUAH-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-8-13-12-11-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b12-11+.
What are the key properties of (4-methylphenyl)-propoxydiazene?
(4-methylphenyl)-propoxydiazene has a molecular weight of 178.24 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-propoxydiazene is sourced from PubChem (CID 176847067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).