2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol

C14H20N2O2 — CID 100978010

IUPAC2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol
SMILESC=CCCCCOc1ccc(/N=N/CCO)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-5-12-18-14-8-6-13(7-9-14)16-15-10-11-17/h2,6-9,17H,1,3-5,10-12H2/b16-15+
InChIKeyPUBWAPBYPBWSLB-FOCLMDBBSA-N
MW248.33 g/mol
LogP3.50
Rot. Bonds9

About 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol

2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol (PubChem CID 100978010) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol.

Molecular Properties

Compound Name2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol
PubChem CID100978010
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol
SMILESC=CCCCCOc1ccc(/N=N/CCO)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-5-12-18-14-8-6-13(7-9-14)16-15-10-11-17/h2,6-9,17H,1,3-5,10-12H2/b16-15+
InChIKeyPUBWAPBYPBWSLB-FOCLMDBBSA-N
XLogP3.50
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
CID 102225423
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
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
4-undec-10-enoxybenzoate
CID 7009276
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
(4-non-8-enoxyphenyl)boronic acid
CID 142423597
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate
CID 132515552
1-ethyl-4-oct-7-enoxybenzene
CID 158431404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol?
The IUPAC name of 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol (CID 100978010) is 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol.
What is the SMILES notation for 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol?
The canonical SMILES for 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol is C=CCCCCOc1ccc(/N=N/CCO)cc1.
What is the InChIKey of 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol?
The InChIKey is PUBWAPBYPBWSLB-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-4-5-12-18-14-8-6-13(7-9-14)16-15-10-11-17/h2,6-9,17H,1,3-5,10-12H2/b16-15+.
What are the key properties of 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol?
2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol has a molecular weight of 248.33 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol is sourced from PubChem (CID 100978010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).