5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol

C28H33NO2 — CID 136870928

IUPAC5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol
SMILESCCCCCCOc1ccc(/N=C(\C)c2ccc(-c3ccc(CC)cc3)cc2O)cc1
InChIInChI=1S/C28H33NO2/c1-4-6-7-8-19-31-26-16-14-25(15-17-26)29-21(3)27-18-13-24(20-28(27)30)23-11-9-22(5-2)10-12-23/h9-18,20,30H,4-8,19H2,1-3H3/b29-21+
InChIKeyUHEKWYROPASQOT-XHLNEMQHSA-N
MW415.58 g/mol
LogP7.72
Rot. Bonds10

About 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol

5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol (PubChem CID 136870928) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol
PubChem CID136870928
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol
SMILESCCCCCCOc1ccc(/N=C(\C)c2ccc(-c3ccc(CC)cc3)cc2O)cc1
InChIInChI=1S/C28H33NO2/c1-4-6-7-8-19-31-26-16-14-25(15-17-26)29-21(3)27-18-13-24(20-28(27)30)23-11-9-22(5-2)10-12-23/h9-18,20,30H,4-8,19H2,1-3H3/b29-21+
InChIKeyUHEKWYROPASQOT-XHLNEMQHSA-N
XLogP7.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine
CID 91741362
(E)-1-[4-[1-(2,4-dihydroxyphenyl)ethylideneamino]phenyl]-3-(4-heptoxyphenyl)prop-2-en-1-one
CID 136896236
2-[4-(4-heptoxyphenyl)phenyl]-1,1,3,3-tetramethylguanidine
CID 101472600
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
[4-(4-ethylphenyl)phenyl] 4-hexoxybenzoate
CID 3769000
2-fluoro-4-(4-nonoxyphenyl)benzoic acid
CID 56621953
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
1-(chloromethyl)-4-(4-decoxyphenyl)benzene
CID 14794612
4-hexoxybenzene-1,2-diol
CID 23459322

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol (CID 136870928) is 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol is CCCCCCOc1ccc(/N=C(\C)c2ccc(-c3ccc(CC)cc3)cc2O)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol?
The InChIKey is UHEKWYROPASQOT-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H33NO2/c1-4-6-7-8-19-31-26-16-14-25(15-17-26)29-21(3)27-18-13-24(20-28(27)30)23-11-9-22(5-2)10-12-23/h9-18,20,30H,4-8,19H2,1-3H3/b29-21+.
What are the key properties of 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol?
5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol has a molecular weight of 415.58 g/mol, XLogP of 7.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136870928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).