5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile

C17H11ClFNO2 — CID 170356720

IUPAC5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile
SMILESCc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C#N
InChIInChI=1S/C17H11ClFNO2/c1-10-13(8-20)12-7-11(5-6-17(12)22-10)21-9-14-15(18)3-2-4-16(14)19/h2-7H,9H2,1H3
InChIKeyKWXYYFCAFWOERF-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.98
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile

5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile (PubChem CID 170356720) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile
PubChem CID170356720
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile
SMILESCc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C#N
InChIInChI=1S/C17H11ClFNO2/c1-10-13(8-20)12-7-11(5-6-17(12)22-10)21-9-14-15(18)3-2-4-16(14)19/h2-7H,9H2,1H3
InChIKeyKWXYYFCAFWOERF-UHFFFAOYSA-N
XLogP4.98
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 988870
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
7-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 63549722
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
5-[(2-chloro-6-fluorophenyl)methoxy]-1H-indole
CID 80642309
2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile
CID 50871381
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxybenzonitrile
CID 22682990
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[(2-chloro-6-fluorophenyl)-dideuteriomethoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129126

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile (CID 170356720) is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile is Cc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C#N.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile?
The InChIKey is KWXYYFCAFWOERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-10-13(8-20)12-7-11(5-6-17(12)22-10)21-9-14-15(18)3-2-4-16(14)19/h2-7H,9H2,1H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile?
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile has a molecular weight of 315.73 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 170356720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).