2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol

C25H35NO — CID 139721413

IUPAC2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol
SMILESC=C(Nc1ccc(CC)cc1)C(O)c1ccc(CCCCCCCC)cc1
InChIInChI=1S/C25H35NO/c1-4-6-7-8-9-10-11-22-12-16-23(17-13-22)25(27)20(3)26-24-18-14-21(5-2)15-19-24/h12-19,25-27H,3-11H2,1-2H3
InChIKeyWLMIHRYYYDPSRC-UHFFFAOYSA-N
MW365.56 g/mol
LogP6.81
Rot. Bonds12

About 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol

2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol (PubChem CID 139721413) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol
PubChem CID139721413
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol
SMILESC=C(Nc1ccc(CC)cc1)C(O)c1ccc(CCCCCCCC)cc1
InChIInChI=1S/C25H35NO/c1-4-6-7-8-9-10-11-22-12-16-23(17-13-22)25(27)20(3)26-24-18-14-21(5-2)15-19-24/h12-19,25-27H,3-11H2,1-2H3
InChIKeyWLMIHRYYYDPSRC-UHFFFAOYSA-N
XLogP6.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol
CID 129384682
1-ethyl-4-octacosylbenzene
CID 175218304
bis(4-tridecylphenyl)methanol
CID 139673626
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
N-(4-heptylphenyl)heptanamide
CID 101077737
1-N-[(4-pentylphenyl)methyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
CID 138455661
(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692
(2S,3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 45483299

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol?
The IUPAC name of 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol (CID 139721413) is 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol?
The canonical SMILES for 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol is C=C(Nc1ccc(CC)cc1)C(O)c1ccc(CCCCCCCC)cc1.
What is the InChIKey of 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol?
The InChIKey is WLMIHRYYYDPSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-4-6-7-8-9-10-11-22-12-16-23(17-13-22)25(27)20(3)26-24-18-14-21(5-2)15-19-24/h12-19,25-27H,3-11H2,1-2H3.
What are the key properties of 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol?
2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol has a molecular weight of 365.56 g/mol, XLogP of 6.81, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-1-(4-octylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 139721413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).