4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile

C15H11ClFNO2 — CID 78952742

IUPAC4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
SMILESCOc1ccc(Cl)cc1COc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H11ClFNO2/c1-19-15-5-3-12(16)6-11(15)9-20-13-4-2-10(8-18)14(17)7-13/h2-7H,9H2,1H3
InChIKeyMBCUFKDFQBVRQA-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.94
Rot. Bonds4

About 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile

4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile (PubChem CID 78952742) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
PubChem CID78952742
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
SMILESCOc1ccc(Cl)cc1COc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H11ClFNO2/c1-19-15-5-3-12(16)6-11(15)9-20-13-4-2-10(8-18)14(17)7-13/h2-7H,9H2,1H3
InChIKeyMBCUFKDFQBVRQA-UHFFFAOYSA-N
XLogP3.94
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
CID 22661881
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
CID 103174663
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902675
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 61036659

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile (CID 78952742) is 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile is COc1ccc(Cl)cc1COc1ccc(C#N)c(F)c1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile?
The InChIKey is MBCUFKDFQBVRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c1-19-15-5-3-12(16)6-11(15)9-20-13-4-2-10(8-18)14(17)7-13/h2-7H,9H2,1H3.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile?
4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile has a molecular weight of 291.71 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 78952742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).