2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol

C17H18FNO2 — CID 135720913

IUPAC2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/c2ccc(C)c(F)c2)c(O)c1
InChIInChI=1S/C17H18FNO2/c1-3-8-21-15-7-5-13(17(20)10-15)11-19-14-6-4-12(2)16(18)9-14/h4-7,9-11,20H,3,8H2,1-2H3/b19-11+
InChIKeyJCGSAAYXFMBZRM-YBFXNURJSA-N
MW287.33 g/mol
LogP4.38
Rot. Bonds5

About 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol

2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol (PubChem CID 135720913) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
PubChem CID135720913
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/c2ccc(C)c(F)c2)c(O)c1
InChIInChI=1S/C17H18FNO2/c1-3-8-21-15-7-5-13(17(20)10-15)11-19-14-6-4-12(2)16(18)9-14/h4-7,9-11,20H,3,8H2,1-2H3/b19-11+
InChIKeyJCGSAAYXFMBZRM-YBFXNURJSA-N
XLogP4.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.38
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

5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
CID 135843252
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 135758646
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-(1,3-benzodioxol-5-yliminomethyl)-5-propoxyphenol
CID 135787703
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
2-[(4-nitrophenyl)iminomethyl]-5-propoxyphenol
CID 135609186
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol (CID 135720913) is 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol is CCCOc1ccc(/C=N/c2ccc(C)c(F)c2)c(O)c1.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol?
The InChIKey is JCGSAAYXFMBZRM-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-8-21-15-7-5-13(17(20)10-15)11-19-14-6-4-12(2)16(18)9-14/h4-7,9-11,20H,3,8H2,1-2H3/b19-11+.
What are the key properties of 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol?
2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol has a molecular weight of 287.33 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol is sourced from PubChem (CID 135720913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).