(4-heptylphenyl)-(4-propoxyphenyl)diazene

C22H30N2O — CID 86194744

IUPAC(4-heptylphenyl)-(4-propoxyphenyl)diazene
SMILESCCCCCCCc1ccc(/N=N/c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-3-5-6-7-8-9-19-10-12-20(13-11-19)23-24-21-14-16-22(17-15-21)25-18-4-2/h10-17H,3-9,18H2,1-2H3/b24-23+
InChIKeyXDUSVIOAAIBCCJ-WCWDXBQESA-N
MW338.50 g/mol
LogP7.40
Rot. Bonds11

About (4-heptylphenyl)-(4-propoxyphenyl)diazene

(4-heptylphenyl)-(4-propoxyphenyl)diazene (PubChem CID 86194744) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is (4-heptylphenyl)-(4-propoxyphenyl)diazene.

Molecular Properties

Compound Name(4-heptylphenyl)-(4-propoxyphenyl)diazene
PubChem CID86194744
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name(4-heptylphenyl)-(4-propoxyphenyl)diazene
SMILESCCCCCCCc1ccc(/N=N/c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-3-5-6-7-8-9-19-10-12-20(13-11-19)23-24-21-14-16-22(17-15-21)25-18-4-2/h10-17H,3-9,18H2,1-2H3/b24-23+
InChIKeyXDUSVIOAAIBCCJ-WCWDXBQESA-N
XLogP7.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 57.40
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'}

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Related Compounds

(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
[4-(3-bromopropoxy)phenyl]-(4-hexylphenyl)diazene
CID 10811152
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
CID 86093178
4-[4-[(4-dodecylphenyl)diazenyl]phenoxy]butanoic acid
CID 86173212
1-hexoxy-4-pentylbenzene
CID 54277450
bis(4-heptoxyphenyl)diazene
CID 13087198
bis(4-decylphenyl)diazene
CID 71359462
6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoic acid
CID 56996290
11-[4-[(4-pentylphenyl)diazenyl]phenoxy]undecanoic acid
CID 101447317
[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
CID 10643169
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875

Frequently Asked Questions

What is the IUPAC name of (4-heptylphenyl)-(4-propoxyphenyl)diazene?
The IUPAC name of (4-heptylphenyl)-(4-propoxyphenyl)diazene (CID 86194744) is (4-heptylphenyl)-(4-propoxyphenyl)diazene.
What is the SMILES notation for (4-heptylphenyl)-(4-propoxyphenyl)diazene?
The canonical SMILES for (4-heptylphenyl)-(4-propoxyphenyl)diazene is CCCCCCCc1ccc(/N=N/c2ccc(OCCC)cc2)cc1.
What is the InChIKey of (4-heptylphenyl)-(4-propoxyphenyl)diazene?
The InChIKey is XDUSVIOAAIBCCJ-WCWDXBQESA-N. The full InChI is InChI=1S/C22H30N2O/c1-3-5-6-7-8-9-19-10-12-20(13-11-19)23-24-21-14-16-22(17-15-21)25-18-4-2/h10-17H,3-9,18H2,1-2H3/b24-23+.
What are the key properties of (4-heptylphenyl)-(4-propoxyphenyl)diazene?
(4-heptylphenyl)-(4-propoxyphenyl)diazene has a molecular weight of 338.50 g/mol, XLogP of 7.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-heptylphenyl)-(4-propoxyphenyl)diazene is sourced from PubChem (CID 86194744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).