3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile

C15H11ClFNO2 — CID 103566820

IUPAC3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H11ClFNO2/c1-19-13-4-10(8-18)5-14(7-13)20-9-11-2-3-12(16)6-15(11)17/h2-7H,9H2,1H3
InChIKeyIUAMSLVZOCCYRC-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.94
Rot. Bonds4

About 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile

3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile (PubChem CID 103566820) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
PubChem CID103566820
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H11ClFNO2/c1-19-13-4-10(8-18)5-14(7-13)20-9-11-2-3-12(16)6-15(11)17/h2-7H,9H2,1H3
InChIKeyIUAMSLVZOCCYRC-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

3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909
3-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103567000
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
3-[(2-amino-4-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103566498
3-[(3-cyano-5-methoxyphenoxy)methyl]-5-fluorobenzonitrile
CID 103566793
3-[(5-chlorothiophen-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566952
5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221271
3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile
CID 103566901
3-chloro-4-[(3-methoxyphenoxy)methyl]benzonitrile
CID 102665777
3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566677

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile (CID 103566820) is 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile is COc1cc(C#N)cc(OCc2ccc(Cl)cc2F)c1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile?
The InChIKey is IUAMSLVZOCCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c1-19-13-4-10(8-18)5-14(7-13)20-9-11-2-3-12(16)6-15(11)17/h2-7H,9H2,1H3.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile?
3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile 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 3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile is sourced from PubChem (CID 103566820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).