4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile

C15H13NO2S — CID 81305970

IUPAC4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
SMILESCOc1ccc(C#N)c(Oc2ccc(SC)cc2)c1
InChIInChI=1S/C15H13NO2S/c1-17-13-4-3-11(10-16)15(9-13)18-12-5-7-14(19-2)8-6-12/h3-9H,1-2H3
InChIKeyALTKDXVPVZJUBY-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.08
Rot. Bonds4

About 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile

4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile (PubChem CID 81305970) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
PubChem CID81305970
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
SMILESCOc1ccc(C#N)c(Oc2ccc(SC)cc2)c1
InChIInChI=1S/C15H13NO2S/c1-17-13-4-3-11(10-16)15(9-13)18-12-5-7-14(19-2)8-6-12/h3-9H,1-2H3
InChIKeyALTKDXVPVZJUBY-UHFFFAOYSA-N
XLogP4.08
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042
2-methoxy-4-methylsulfanylbenzonitrile
CID 91881052
4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-(3-iodophenoxy)-4-methoxybenzonitrile
CID 81305875
7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
CID 157041119
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
CID 81305874
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63648336
2-(2-amino-4-chlorophenoxy)-4-methoxybenzonitrile
CID 81302575
2-(2-amino-5-chlorophenoxy)-4-methoxybenzonitrile
CID 81302576

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile?
The IUPAC name of 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile (CID 81305970) is 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile?
The canonical SMILES for 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile is COc1ccc(C#N)c(Oc2ccc(SC)cc2)c1.
What is the InChIKey of 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile?
The InChIKey is ALTKDXVPVZJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-13-4-3-11(10-16)15(9-13)18-12-5-7-14(19-2)8-6-12/h3-9H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile?
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile has a molecular weight of 271.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile is sourced from PubChem (CID 81305970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).