methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate

C11H12ClNO3 — CID 73432751

IUPACmethyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate
SMILESCOC(=O)C(CCc1ccc(Cl)cc1)=NO
InChIInChI=1S/C11H12ClNO3/c1-16-11(14)10(13-15)7-4-8-2-5-9(12)6-3-8/h2-3,5-6,15H,4,7H2,1H3
InChIKeySHHRPMCZBJFDFJ-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.28
Rot. Bonds4

About methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate

methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate (PubChem CID 73432751) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate
PubChem CID73432751
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate
SMILESCOC(=O)C(CCc1ccc(Cl)cc1)=NO
InChIInChI=1S/C11H12ClNO3/c1-16-11(14)10(13-15)7-4-8-2-5-9(12)6-3-8/h2-3,5-6,15H,4,7H2,1H3
InChIKeySHHRPMCZBJFDFJ-UHFFFAOYSA-N
XLogP2.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-chlorophenyl)-2-oxobutanoate
CID 18370340
propan-2-yl 4-(4-fluorophenyl)-2-hydroxyiminobutanoate
CID 73432748
methyl 3-(4-chlorophenyl)-2-oxopropanoate
CID 8008517
3-(4-chlorophenyl)-1-dimethoxyphosphorylpropan-1-one
CID 13287894
3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227
acetyl 3-(4-chlorophenyl)propanoate
CID 174360219
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
CID 19221018
methyl 4-[4-(4-chlorobenzoyl)phenyl]butanoate
CID 10781715
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate?
The IUPAC name of methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate (CID 73432751) is methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate?
The canonical SMILES for methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate is COC(=O)C(CCc1ccc(Cl)cc1)=NO.
What is the InChIKey of methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate?
The InChIKey is SHHRPMCZBJFDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-16-11(14)10(13-15)7-4-8-2-5-9(12)6-3-8/h2-3,5-6,15H,4,7H2,1H3.
What are the key properties of methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate?
methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate has a molecular weight of 241.67 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate is sourced from PubChem (CID 73432751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).