1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene

C14H13FOS — CID 166922927

IUPAC1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene
SMILESCOc1ccc(F)c(-c2cccc(SC)c2)c1
InChIInChI=1S/C14H13FOS/c1-16-11-6-7-14(15)13(9-11)10-4-3-5-12(8-10)17-2/h3-9H,1-2H3
InChIKeyVVMICGZPBLDKTJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.22
Rot. Bonds3

About 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene

1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene (PubChem CID 166922927) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene
PubChem CID166922927
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene
SMILESCOc1ccc(F)c(-c2cccc(SC)c2)c1
InChIInChI=1S/C14H13FOS/c1-16-11-6-7-14(15)13(9-11)10-4-3-5-12(8-10)17-2/h3-9H,1-2H3
InChIKeyVVMICGZPBLDKTJ-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
1-methylsulfanyl-2-(3-methylsulfanylphenyl)benzene
CID 71281372
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
CID 53220005
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
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1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
2-(3-fluoro-2-methylphenyl)-4-methoxyphenol
CID 104707372
1-fluoro-4-methoxy-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145014279
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
1,2,3,4,5-pentafluoro-6-(3-methylsulfanylphenyl)benzene
CID 118846725

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene?
The IUPAC name of 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene (CID 166922927) is 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene.
What is the SMILES notation for 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene?
The canonical SMILES for 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene is COc1ccc(F)c(-c2cccc(SC)c2)c1.
What is the InChIKey of 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene?
The InChIKey is VVMICGZPBLDKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-16-11-6-7-14(15)13(9-11)10-4-3-5-12(8-10)17-2/h3-9H,1-2H3.
What are the key properties of 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene?
1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene has a molecular weight of 248.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene is sourced from PubChem (CID 166922927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).