5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene

C16H17FO — CID 146258257

IUPAC5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene
SMILESCOc1ccc(C)c(-c2cc(F)cc(C)c2C)c1
InChIInChI=1S/C16H17FO/c1-10-5-6-14(18-4)9-15(10)16-8-13(17)7-11(2)12(16)3/h5-9H,1-4H3
InChIKeyRILMLGLNIYEHAM-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.43
Rot. Bonds2

About 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene

5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene (PubChem CID 146258257) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene
PubChem CID146258257
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene
SMILESCOc1ccc(C)c(-c2cc(F)cc(C)c2C)c1
InChIInChI=1S/C16H17FO/c1-10-5-6-14(18-4)9-15(10)16-8-13(17)7-11(2)12(16)3/h5-9H,1-4H3
InChIKeyRILMLGLNIYEHAM-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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Related Compounds

[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11403470
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene
CID 90975189
3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile
CID 172914864
2-(3-fluoro-5-methylphenyl)-4-methoxyphenol
CID 104707351
(5-methoxy-2-methylphenyl) hypoiodite
CID 142839630
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole
CID 173064820
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
5-methoxy-1,2-dimethyl-3-phenylbenzene
CID 67554747

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene?
The IUPAC name of 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene (CID 146258257) is 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene.
What is the SMILES notation for 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene?
The canonical SMILES for 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene is COc1ccc(C)c(-c2cc(F)cc(C)c2C)c1.
What is the InChIKey of 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene?
The InChIKey is RILMLGLNIYEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-10-5-6-14(18-4)9-15(10)16-8-13(17)7-11(2)12(16)3/h5-9H,1-4H3.
What are the key properties of 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene?
5-fluoro-1-(5-methoxy-2-methylphenyl)-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 5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene is sourced from PubChem (CID 146258257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).