benzyl 7-chloro-2-hydroxyiminoheptanoate

C14H18ClNO3 — CID 73432719

IUPACbenzyl 7-chloro-2-hydroxyiminoheptanoate
SMILESO=C(OCc1ccccc1)C(CCCCCCl)=NO
InChIInChI=1S/C14H18ClNO3/c15-10-6-2-5-9-13(16-18)14(17)19-11-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2
InChIKeyVCSYSHXLPIRPDS-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.36
Rot. Bonds8

About benzyl 7-chloro-2-hydroxyiminoheptanoate

benzyl 7-chloro-2-hydroxyiminoheptanoate (PubChem CID 73432719) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is benzyl 7-chloro-2-hydroxyiminoheptanoate.

Molecular Properties

Compound Namebenzyl 7-chloro-2-hydroxyiminoheptanoate
PubChem CID73432719
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namebenzyl 7-chloro-2-hydroxyiminoheptanoate
SMILESO=C(OCc1ccccc1)C(CCCCCCl)=NO
InChIInChI=1S/C14H18ClNO3/c15-10-6-2-5-9-13(16-18)14(17)19-11-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2
InChIKeyVCSYSHXLPIRPDS-UHFFFAOYSA-N
XLogP3.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 7-chloro-2-hydroxyiminoheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzyl (2E)-2-hydroxyiminopentanedioate
CID 46183552
benzyl 5-cyclohexyl-2-hydroxyiminopentanoate
CID 73432788
benzyl 2-chloro-2-hydroxyiminoacetate
CID 6823766
benzyl (2Z)-2-hydroxyimino-5-methoxy-5-phenylpentanoate
CID 18370746
benzyl (2E)-4-(1-chloronaphthalen-2-yl)-2-hydroxyiminobutanoate
CID 18370333
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 2-oxo-8-phenyloctanoate
CID 18371042
cyclooctyl 2-hydroxyimino-12-phenyldodecanoate
CID 154139161
benzyl 2-chloro-2-oxoacetate
CID 11019858
benzyl 2-oxodecanoate
CID 18370296
benzyl 6-amino-2-oxohexanoate
CID 175985284
benzyl 16-chloro-16-oxohexadecanoate
CID 131724893

Frequently Asked Questions

What is the IUPAC name of benzyl 7-chloro-2-hydroxyiminoheptanoate?
The IUPAC name of benzyl 7-chloro-2-hydroxyiminoheptanoate (CID 73432719) is benzyl 7-chloro-2-hydroxyiminoheptanoate.
What is the SMILES notation for benzyl 7-chloro-2-hydroxyiminoheptanoate?
The canonical SMILES for benzyl 7-chloro-2-hydroxyiminoheptanoate is O=C(OCc1ccccc1)C(CCCCCCl)=NO.
What is the InChIKey of benzyl 7-chloro-2-hydroxyiminoheptanoate?
The InChIKey is VCSYSHXLPIRPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-10-6-2-5-9-13(16-18)14(17)19-11-12-7-3-1-4-8-12/h1,3-4,7-8,18H,2,5-6,9-11H2.
What are the key properties of benzyl 7-chloro-2-hydroxyiminoheptanoate?
benzyl 7-chloro-2-hydroxyiminoheptanoate has a molecular weight of 283.75 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-chloro-2-hydroxyiminoheptanoate is sourced from PubChem (CID 73432719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).