1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene

C16H17FO — CID 118188502

IUPAC1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
SMILESCOc1ccc(-c2ccc(C)c(F)c2)c(C)c1C
InChIInChI=1S/C16H17FO/c1-10-5-6-13(9-15(10)17)14-7-8-16(18-4)12(3)11(14)2/h5-9H,1-4H3
InChIKeyRRZOGBRJPJOFET-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.43
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene

1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene (PubChem CID 118188502) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
PubChem CID118188502
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
SMILESCOc1ccc(-c2ccc(C)c(F)c2)c(C)c1C
InChIInChI=1S/C16H17FO/c1-10-5-6-13(9-15(10)17)14-7-8-16(18-4)12(3)11(14)2/h5-9H,1-4H3
InChIKeyRRZOGBRJPJOFET-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene (CID 118188502) is 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene is COc1ccc(-c2ccc(C)c(F)c2)c(C)c1C.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene?
The InChIKey is RRZOGBRJPJOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-10-5-6-13(9-15(10)17)14-7-8-16(18-4)12(3)11(14)2/h5-9H,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene?
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene has a molecular weight of 244.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene is sourced from PubChem (CID 118188502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).