4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C15H14ClNO3 — CID 136961613

IUPAC4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c1-9(17-19)12-7-10(3-5-14(12)18)11-4-6-15(20-2)13(16)8-11/h3-8,18-19H,1-2H3/b17-9+
InChIKeyYSILAKRDXSTDJA-RQZCQDPDSA-N
MW291.73 g/mol
LogP3.92
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 136961613) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID136961613
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c1-9(17-19)12-7-10(3-5-14(12)18)11-4-6-15(20-2)13(16)8-11/h3-8,18-19H,1-2H3/b17-9+
InChIKeyYSILAKRDXSTDJA-RQZCQDPDSA-N
XLogP3.92
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.92
H-Bond Donors ≤ 52
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'}

Analyze 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 136961613) is 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is COc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is YSILAKRDXSTDJA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9(17-19)12-7-10(3-5-14(12)18)11-4-6-15(20-2)13(16)8-11/h3-8,18-19H,1-2H3/b17-9+.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 291.73 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136961613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).