3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one

C18H19NO3 — CID 7208289

IUPAC3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccc(/N=C/CC(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)17(20)10-11-19-16-9-8-15(21-2)12-18(16)22-3/h4-9,11-12H,10H2,1-3H3/b19-11+
InChIKeyRJNNDGFBOYDWFY-YBFXNURJSA-N
MW297.35 g/mol
LogP3.99
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one

3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one (PubChem CID 7208289) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
PubChem CID7208289
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccc(/N=C/CC(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)17(20)10-11-19-16-9-8-15(21-2)12-18(16)22-3/h4-9,11-12H,10H2,1-3H3/b19-11+
InChIKeyRJNNDGFBOYDWFY-YBFXNURJSA-N
XLogP3.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one
CID 91899582
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate
CID 101411260
3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 4127588
1-(4-bromophenyl)-3-(2,4-dimethylphenyl)iminopropan-1-one
CID 4558822
methyl 2-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoate
CID 4062869
1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
CID 4131662
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
1-(4-aminophenyl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminopropan-1-one
CID 123766955
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
2,4-dimethoxy-1-[2-(4-methylphenyl)prop-1-enyl]benzene
CID 59073216
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
CID 88635833
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 51255954

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one (CID 7208289) is 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one is COc1ccc(/N=C/CC(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one?
The InChIKey is RJNNDGFBOYDWFY-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)17(20)10-11-19-16-9-8-15(21-2)12-18(16)22-3/h4-9,11-12H,10H2,1-3H3/b19-11+.
What are the key properties of 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one?
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one has a molecular weight of 297.35 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 7208289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).