2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol

C15H14ClNO3 — CID 135931727

IUPAC2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(/C(C)=N/O)c(O)c2Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-9(17-19)12-7-8-13(14(16)15(12)18)10-3-5-11(20-2)6-4-10/h3-8,18-19H,1-2H3/b17-9+
InChIKeyRGNYSQFHHVIJBS-RQZCQDPDSA-N
MW291.73 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol

2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol (PubChem CID 135931727) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol
PubChem CID135931727
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2ccc(/C(C)=N/O)c(O)c2Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-9(17-19)12-7-8-13(14(16)15(12)18)10-3-5-11(20-2)6-4-10/h3-8,18-19H,1-2H3/b17-9+
InChIKeyRGNYSQFHHVIJBS-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol?
The IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol (CID 135931727) is 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol.
What is the SMILES notation for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol?
The canonical SMILES for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol is COc1ccc(-c2ccc(/C(C)=N/O)c(O)c2Cl)cc1.
What is the InChIKey of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol?
The InChIKey is RGNYSQFHHVIJBS-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9(17-19)12-7-8-13(14(16)15(12)18)10-3-5-11(20-2)6-4-10/h3-8,18-19H,1-2H3/b17-9+.
What are the key properties of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol?
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)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 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol is sourced from PubChem (CID 135931727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).