2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

C14H9F5N2O2 — CID 9466515

IUPAC2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)cc1O
InChIInChI=1S/C14H9F5N2O2/c1-23-8-3-2-6(4-7(8)22)5-20-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21-22H,1H3/b20-5-
InChIKeyFMGNFSLRTKUBTG-SDPNRITHSA-N
MW332.23 g/mol
LogP3.54
Rot. Bonds4

About 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 9466515) has the molecular formula C14H9F5N2O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID9466515
Molecular FormulaC14H9F5N2O2
Molecular Weight332.23 g/mol
Exact Mass332.06
IUPAC Name2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)cc1O
InChIInChI=1S/C14H9F5N2O2/c1-23-8-3-2-6(4-7(8)22)5-20-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21-22H,1H3/b20-5-
InChIKeyFMGNFSLRTKUBTG-SDPNRITHSA-N
XLogP3.54
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_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-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (CID 9466515) is 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is COc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)cc1O.
What is the InChIKey of 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is FMGNFSLRTKUBTG-SDPNRITHSA-N. The full InChI is InChI=1S/C14H9F5N2O2/c1-23-8-3-2-6(4-7(8)22)5-20-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21-22H,1H3/b20-5-.
What are the key properties of 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 332.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 9466515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).