[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol

C15H14FNO2 — CID 86729004

IUPAC[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(/N=C/c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO2/c1-19-15-7-12(10-18)6-14(8-15)17-9-11-2-4-13(16)5-3-11/h2-9,18H,10H2,1H3/b17-9+
InChIKeyMQNGAQGOEOIWSL-RQZCQDPDSA-N
MW259.28 g/mol
LogP3.08
Rot. Bonds4

About [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol

[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol (PubChem CID 86729004) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol
PubChem CID86729004
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(/N=C/c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO2/c1-19-15-7-12(10-18)6-14(8-15)17-9-11-2-4-13(16)5-3-11/h2-9,18H,10H2,1H3/b17-9+
InChIKeyMQNGAQGOEOIWSL-RQZCQDPDSA-N
XLogP3.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.08
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

acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
CID 86728880
N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
CID 54205249
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
CID 4028302
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
N-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 693625
N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 4736660
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol (CID 86729004) is [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol is COc1cc(CO)cc(/N=C/c2ccc(F)cc2)c1.
What is the InChIKey of [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol?
The InChIKey is MQNGAQGOEOIWSL-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-19-15-7-12(10-18)6-14(8-15)17-9-11-2-4-13(16)5-3-11/h2-9,18H,10H2,1H3/b17-9+.
What are the key properties of [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol?
[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol has a molecular weight of 259.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol is sourced from PubChem (CID 86729004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).