1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone

C16H14ClNO2 — CID 123319892

IUPAC1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(Cl)cc1COc1ccccc1C
InChIInChI=1S/C16H14ClNO2/c1-11-4-2-3-5-16(11)20-10-12-8-13(17)6-7-14(12)15(19)9-18/h2-9,18H,10H2,1H3/b18-9+
InChIKeyLZKNNTYXLALHEJ-GIJQJNRQSA-N
MW287.75 g/mol
LogP4.06
Rot. Bonds5

About 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone

1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone (PubChem CID 123319892) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone.

Molecular Properties

Compound Name1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone
PubChem CID123319892
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(Cl)cc1COc1ccccc1C
InChIInChI=1S/C16H14ClNO2/c1-11-4-2-3-5-16(11)20-10-12-8-13(17)6-7-14(12)15(19)9-18/h2-9,18H,10H2,1H3/b18-9+
InChIKeyLZKNNTYXLALHEJ-GIJQJNRQSA-N
XLogP4.06
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-imino-1-[2-[(3,4,5-trimethylphenoxy)methyl]phenyl]ethanone
CID 123634687
1-[2-[(2,6-dimethylphenoxy)methyl]-4-trimethylsilyloxyphenyl]-2-iminoethanone
CID 123386972
2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide
CID 151682552
5-chloro-2-[(2-methylphenyl)methoxy]benzoyl chloride
CID 46779753
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
CID 150348416
ethyl 2-[2-(2-iminoacetyl)phenoxy]acetate
CID 90857354
(E)-3-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19567027
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone?
The IUPAC name of 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone (CID 123319892) is 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone.
What is the SMILES notation for 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone?
The canonical SMILES for 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone is [H]/N=C/C(=O)c1ccc(Cl)cc1COc1ccccc1C.
What is the InChIKey of 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone?
The InChIKey is LZKNNTYXLALHEJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11-4-2-3-5-16(11)20-10-12-8-13(17)6-7-14(12)15(19)9-18/h2-9,18H,10H2,1H3/b18-9+.
What are the key properties of 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone?
1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone has a molecular weight of 287.75 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone is sourced from PubChem (CID 123319892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).