1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene

C15H15FO — CID 170963415

IUPAC1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
SMILESCCc1ccc(Oc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C15H15FO/c1-3-12-4-6-14(7-5-12)17-15-9-11(2)8-13(16)10-15/h4-10H,3H2,1-2H3
InChIKeyDHWBTEATYVQLEO-UHFFFAOYSA-N
MW230.28 g/mol
LogP4.49
Rot. Bonds3

About 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene

1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene (PubChem CID 170963415) has the molecular formula C15H15FO and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
PubChem CID170963415
Molecular FormulaC15H15FO
Molecular Weight230.28 g/mol
Exact Mass230.11
IUPAC Name1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
SMILESCCc1ccc(Oc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C15H15FO/c1-3-12-4-6-14(7-5-12)17-15-9-11(2)8-13(16)10-15/h4-10H,3H2,1-2H3
InChIKeyDHWBTEATYVQLEO-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 176691111
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
2-ethyl-6-fluoronaphthalene
CID 58787061

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene?
The IUPAC name of 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene (CID 170963415) is 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene?
The canonical SMILES for 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene is CCc1ccc(Oc2cc(C)cc(F)c2)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene?
The InChIKey is DHWBTEATYVQLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO/c1-3-12-4-6-14(7-5-12)17-15-9-11(2)8-13(16)10-15/h4-10H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene?
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene has a molecular weight of 230.28 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene is sourced from PubChem (CID 170963415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).