2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol

C18H19NO2 — CID 3963832

IUPAC2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2ccc(C)cc2C)c(O)c1
InChIInChI=1S/C18H19NO2/c1-4-9-21-16-7-6-15(18(20)11-16)12-19-17-8-5-13(2)10-14(17)3/h4-8,10-12,20H,1,9H2,2-3H3/b19-12+
InChIKeyNFAAQCMKBLJYKN-XDHOZWIPSA-N
MW281.36 g/mol
LogP4.32
Rot. Bonds5

About 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol

2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol (PubChem CID 3963832) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol
PubChem CID3963832
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol
SMILESC=CCOc1ccc(/C=N/c2ccc(C)cc2C)c(O)c1
InChIInChI=1S/C18H19NO2/c1-4-9-21-16-7-6-15(18(20)11-16)12-19-17-8-5-13(2)10-14(17)3/h4-8,10-12,20H,1,9H2,2-3H3/b19-12+
InChIKeyNFAAQCMKBLJYKN-XDHOZWIPSA-N
XLogP4.32
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.32
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

Alpha-(4-ethoxyphenylimino)-O-cresol
CID 254418
5-(allyloxy)-2-{(E)-[(4-methoxyphenyl)imino]methyl}phenol
CID 3481556
4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol
CID 774534
3-Methoxydibenzo[B,F][1,4]Oxazepine
CID 12286507
N-((4-(Hexyloxy)phenyl)methylene)-4-methylbenzenamine
CID 141257
(E)-N-(4-Methylphenyl)-1-[4-(nonyloxy)phenyl]methanimine
CID 298710
N-[(E)-(4-butoxyphenyl)methylidene]-4-methylaniline
CID 298711
(4-Octyloxy-benzylidene)-P-tolyl-amine
CID 298713
N-(4-methylphenyl)-1-(4-pentoxyphenyl)methanimine
CID 298715
5-ethoxy-2-[[(E)-3-phenylprop-2-enylidene]amino]phenol
CID 5794007
Dibenzo[B,F][1,4]Oxazepin-3-O
CID 136002659
p-Heptyloxybenzylidene p-heptylaniline
CID 142377

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol?
The IUPAC name of 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol (CID 3963832) is 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol?
The canonical SMILES for 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol is C=CCOc1ccc(/C=N/c2ccc(C)cc2C)c(O)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol?
The InChIKey is NFAAQCMKBLJYKN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-9-21-16-7-6-15(18(20)11-16)12-19-17-8-5-13(2)10-14(17)3/h4-8,10-12,20H,1,9H2,2-3H3/b19-12+.
What are the key properties of 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol?
2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol has a molecular weight of 281.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)iminomethyl]-5-prop-2-enoxyphenol is sourced from PubChem (CID 3963832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).