5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene

C16H17FO — CID 123903302

IUPAC5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene
SMILESCCc1cc(C)c(Oc2ccc(C)cc2)c(F)c1
InChIInChI=1S/C16H17FO/c1-4-13-9-12(3)16(15(17)10-13)18-14-7-5-11(2)6-8-14/h5-10H,4H2,1-3H3
InChIKeyDANZHVZOPDGKLR-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.80
Rot. Bonds3

About 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene

5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene (PubChem CID 123903302) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene
PubChem CID123903302
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene
SMILESCCc1cc(C)c(Oc2ccc(C)cc2)c(F)c1
InChIInChI=1S/C16H17FO/c1-4-13-9-12(3)16(15(17)10-13)18-14-7-5-11(2)6-8-14/h5-10H,4H2,1-3H3
InChIKeyDANZHVZOPDGKLR-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
CID 102110904
[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108438
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585
5-(bromomethyl)-2-(3,4-dimethylphenoxy)-1,3-difluorobenzene
CID 107086989
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
5-ethyl-3-fluoro-2-methoxyphenol
CID 84653744
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene?
The IUPAC name of 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene (CID 123903302) is 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene.
What is the SMILES notation for 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene?
The canonical SMILES for 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene is CCc1cc(C)c(Oc2ccc(C)cc2)c(F)c1.
What is the InChIKey of 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene?
The InChIKey is DANZHVZOPDGKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-4-13-9-12(3)16(15(17)10-13)18-14-7-5-11(2)6-8-14/h5-10H,4H2,1-3H3.
What are the key properties of 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene?
5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene has a molecular weight of 244.31 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene is sourced from PubChem (CID 123903302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).