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

C15H14FNO3 — CID 136961607

IUPAC4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1F
InChIInChI=1S/C15H14FNO3/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+
InChIKeySSFRCXFUDPKWAU-RQZCQDPDSA-N
MW275.28 g/mol
LogP3.41
Rot. Bonds3

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

4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 136961607) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID136961607
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1F
InChIInChI=1S/C15H14FNO3/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+
InChIKeySSFRCXFUDPKWAU-RQZCQDPDSA-N
XLogP3.41
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.41
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 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 136961607) is 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is COc1ccc(-c2ccc(O)c(/C(C)=N/O)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is SSFRCXFUDPKWAU-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14FNO3/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-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 275.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136961607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).