2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol

C15H14FNO2 — CID 135595645

IUPAC2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2cc(C)ccc2F)c1
InChIInChI=1S/C15H14FNO2/c1-10-3-5-13(16)14(7-10)17-9-11-8-12(19-2)4-6-15(11)18/h3-9,18H,1-2H3/b17-9+
InChIKeyCYDSZGRXZVSUDY-RQZCQDPDSA-N
MW259.28 g/mol
LogP3.60
Rot. Bonds3

About 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol

2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol (PubChem CID 135595645) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
PubChem CID135595645
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2cc(C)ccc2F)c1
InChIInChI=1S/C15H14FNO2/c1-10-3-5-13(16)14(7-10)17-9-11-8-12(19-2)4-6-15(11)18/h3-9,18H,1-2H3/b17-9+
InChIKeyCYDSZGRXZVSUDY-RQZCQDPDSA-N
XLogP3.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
CID 135828952
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol (CID 135595645) is 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/c2cc(C)ccc2F)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol?
The InChIKey is CYDSZGRXZVSUDY-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-3-5-13(16)14(7-10)17-9-11-8-12(19-2)4-6-15(11)18/h3-9,18H,1-2H3/b17-9+.
What are the key properties of 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol?
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol has a molecular weight of 259.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135595645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).