3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol

C16H18N2O3 — CID 86231691

IUPAC3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
SMILESCOc1ccc(/N=N/c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)21-12-2-11-19/h3-10,19H,2,11-12H2,1H3/b18-17+
InChIKeyBAUAHDILFCRSJK-ISLYRVAYSA-N
MW286.33 g/mol
LogP3.87
Rot. Bonds7

About 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol

3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol (PubChem CID 86231691) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
PubChem CID86231691
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
SMILESCOc1ccc(/N=N/c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)21-12-2-11-19/h3-10,19H,2,11-12H2,1H3/b18-17+
InChIKeyBAUAHDILFCRSJK-ISLYRVAYSA-N
XLogP3.87
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol
CID 10870679
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
10-[4-[[4-[2-[4-(2-methoxyethoxy)phenyl]ethynyl]phenyl]diazenyl]phenoxy]decan-1-ol
CID 102104313
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
CID 101153259
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
3-[4-(morpholin-4-yldiazenyl)phenoxy]propan-1-ol
CID 102354378
bis(4-heptoxyphenyl)diazene
CID 13087198

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol (CID 86231691) is 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol is COc1ccc(/N=N/c2ccc(OCCCO)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol?
The InChIKey is BAUAHDILFCRSJK-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)21-12-2-11-19/h3-10,19H,2,11-12H2,1H3/b18-17+.
What are the key properties of 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol?
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol has a molecular weight of 286.33 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol is sourced from PubChem (CID 86231691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).