4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol

C24H29NO2 — CID 137101752

IUPAC4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OCC)c1O
InChIInChI=1S/C24H29NO2/c1-3-8-21-15-18(16-23(24(21)26)27-4-2)17-25-22-13-11-20(12-14-22)19-9-6-5-7-10-19/h3,11-17,19,26H,1,4-10H2,2H3/b25-17+
InChIKeyKPVUPDPUDOWJLS-KOEQRZSOSA-N
MW363.50 g/mol
LogP6.32
Rot. Bonds7

About 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol

4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol (PubChem CID 137101752) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
PubChem CID137101752
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OCC)c1O
InChIInChI=1S/C24H29NO2/c1-3-8-21-15-18(16-23(24(21)26)27-4-2)17-25-22-13-11-20(12-14-22)19-9-6-5-7-10-19/h3,11-17,19,26H,1,4-10H2,2H3/b25-17+
InChIKeyKPVUPDPUDOWJLS-KOEQRZSOSA-N
XLogP6.32
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
CID 137173872
2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137101758
2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137173615
2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162393
2-ethoxy-4-[(4-methyl-2-nitrophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137173804
N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3994693
1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3885276
N-butyl-N'-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]oxamide
CID 135840035
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxy-6-prop-2-enylphenol
CID 168626655
N'-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
CID 135840022

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
The IUPAC name of 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol (CID 137101752) is 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol.
What is the SMILES notation for 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
The canonical SMILES for 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol is C=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OCC)c1O.
What is the InChIKey of 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
The InChIKey is KPVUPDPUDOWJLS-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H29NO2/c1-3-8-21-15-18(16-23(24(21)26)27-4-2)17-25-22-13-11-20(12-14-22)19-9-6-5-7-10-19/h3,11-17,19,26H,1,4-10H2,2H3/b25-17+.
What are the key properties of 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol?
4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol has a molecular weight of 363.50 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol is sourced from PubChem (CID 137101752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).