[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

C20H14FNO2 — CID 177256437

IUPAC[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2cc(F)ccc2O)cc1
InChIInChI=1S/C20H14FNO2/c21-17-8-11-19(23)16(12-17)13-22-18-9-6-15(7-10-18)20(24)14-4-2-1-3-5-14/h1-13,23H/b22-13+
InChIKeyGNCDNPOIYBVGOI-LPYMAVHISA-N
MW319.34 g/mol
LogP4.51
Rot. Bonds4

About [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 177256437) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID177256437
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2cc(F)ccc2O)cc1
InChIInChI=1S/C20H14FNO2/c21-17-8-11-19(23)16(12-17)13-22-18-9-6-15(7-10-18)20(24)14-4-2-1-3-5-14/h1-13,23H/b22-13+
InChIKeyGNCDNPOIYBVGOI-LPYMAVHISA-N
XLogP4.51
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (CID 177256437) is [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(/N=C/c2cc(F)ccc2O)cc1.
What is the InChIKey of [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is GNCDNPOIYBVGOI-LPYMAVHISA-N. The full InChI is InChI=1S/C20H14FNO2/c21-17-8-11-19(23)16(12-17)13-22-18-9-6-15(7-10-18)20(24)14-4-2-1-3-5-14/h1-13,23H/b22-13+.
What are the key properties of [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 319.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 177256437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).