4-(icosa-5,8,11,14-tetraenylamino)phenol

C26H39NO — CID 66995755

IUPAC4-(icosa-5,8,11,14-tetraenylamino)phenol
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNc1ccc(O)cc1
InChIInChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-25-20-22-26(28)23-21-25/h6-7,9-10,12-13,15-16,20-23,27-28H,2-5,8,11,14,17-19,24H2,1H3
InChIKeyFKJNBILQJOXUNR-UHFFFAOYSA-N
MW381.60 g/mol
LogP7.95
Rot. Bonds16

About 4-(icosa-5,8,11,14-tetraenylamino)phenol

4-(icosa-5,8,11,14-tetraenylamino)phenol (PubChem CID 66995755) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is 4-(icosa-5,8,11,14-tetraenylamino)phenol.

Molecular Properties

Compound Name4-(icosa-5,8,11,14-tetraenylamino)phenol
PubChem CID66995755
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name4-(icosa-5,8,11,14-tetraenylamino)phenol
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNc1ccc(O)cc1
InChIInChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-25-20-22-26(28)23-21-25/h6-7,9-10,12-13,15-16,20-23,27-28H,2-5,8,11,14,17-19,24H2,1H3
InChIKeyFKJNBILQJOXUNR-UHFFFAOYSA-N
XLogP7.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]benzoic acid
CID 70436521
4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide
CID 53394478
2-hydroxy-5-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]benzoic acid
CID 70437869
4-[[(E)-tetradec-4-enyl]amino]benzoic acid
CID 23334187
sodium 4-[[(Z)-octadec-9-enyl]amino]benzenesulfonate
CID 88697998
[4-(octadec-9-enylamino)phenoxy]methanesulfonic acid
CID 154161011
4-fluoro-N-heptylaniline
CID 43129312
3-[4-(tetradec-4-enylamino)phenyl]prop-2-ynoic acid
CID 54256501
3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]propan-1-ol
CID 134205305
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
ethyl 3-[4-(octadec-9-enylamino)phenyl]prop-2-enoate
CID 57184227
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541

Frequently Asked Questions

What is the IUPAC name of 4-(icosa-5,8,11,14-tetraenylamino)phenol?
The IUPAC name of 4-(icosa-5,8,11,14-tetraenylamino)phenol (CID 66995755) is 4-(icosa-5,8,11,14-tetraenylamino)phenol.
What is the SMILES notation for 4-(icosa-5,8,11,14-tetraenylamino)phenol?
The canonical SMILES for 4-(icosa-5,8,11,14-tetraenylamino)phenol is CCCCCC=CCC=CCC=CCC=CCCCCNc1ccc(O)cc1.
What is the InChIKey of 4-(icosa-5,8,11,14-tetraenylamino)phenol?
The InChIKey is FKJNBILQJOXUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-25-20-22-26(28)23-21-25/h6-7,9-10,12-13,15-16,20-23,27-28H,2-5,8,11,14,17-19,24H2,1H3.
What are the key properties of 4-(icosa-5,8,11,14-tetraenylamino)phenol?
4-(icosa-5,8,11,14-tetraenylamino)phenol has a molecular weight of 381.60 g/mol, XLogP of 7.95, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(icosa-5,8,11,14-tetraenylamino)phenol is sourced from PubChem (CID 66995755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).