1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile

C12H12FNO2 — CID 84787792

IUPAC1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile
SMILESCOc1cc(O)cc(F)c1C1(C#N)CCC1
InChIInChI=1S/C12H12FNO2/c1-16-10-6-8(15)5-9(13)11(10)12(7-14)3-2-4-12/h5-6,15H,2-4H2,1H3
InChIKeyIJMFLTFYQYNPSW-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.49
Rot. Bonds2

About 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile

1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile (PubChem CID 84787792) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile
PubChem CID84787792
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile
SMILESCOc1cc(O)cc(F)c1C1(C#N)CCC1
InChIInChI=1S/C12H12FNO2/c1-16-10-6-8(15)5-9(13)11(10)12(7-14)3-2-4-12/h5-6,15H,2-4H2,1H3
InChIKeyIJMFLTFYQYNPSW-UHFFFAOYSA-N
XLogP2.49
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
CID 84787805
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile
CID 84809343
1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
CID 158197915
1-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 83713796
1-(4-bromo-3-fluoro-5-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84812777
1-(3,5-difluoro-4-hydroxy-2-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84799468
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
1-(2-chloro-6-methoxy-3-methylphenyl)cyclobutane-1-carbonitrile
CID 84797824
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)-2-methylpropanenitrile
CID 84780469
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
1-(2-fluoro-3,6-dimethylphenyl)cyclobutane-1-carbonitrile
CID 84777391
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile (CID 84787792) is 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile is COc1cc(O)cc(F)c1C1(C#N)CCC1.
What is the InChIKey of 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile?
The InChIKey is IJMFLTFYQYNPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-16-10-6-8(15)5-9(13)11(10)12(7-14)3-2-4-12/h5-6,15H,2-4H2,1H3.
What are the key properties of 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile?
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile has a molecular weight of 221.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 84787792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).