4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene

C15H15FO — CID 146522341

IUPAC4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
SMILESCCc1ccc(-c2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C15H15FO/c1-3-11-4-9-14(15(16)10-11)12-5-7-13(17-2)8-6-12/h4-10H,3H2,1-2H3
InChIKeyWKOZFNFFYBKCBU-UHFFFAOYSA-N
MW230.28 g/mol
LogP4.06
Rot. Bonds3

About 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene

4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene (PubChem CID 146522341) has the molecular formula C15H15FO and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
PubChem CID146522341
Molecular FormulaC15H15FO
Molecular Weight230.28 g/mol
Exact Mass230.11
IUPAC Name4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
SMILESCCc1ccc(-c2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C15H15FO/c1-3-11-4-9-14(15(16)10-11)12-5-7-13(17-2)8-6-12/h4-10H,3H2,1-2H3
InChIKeyWKOZFNFFYBKCBU-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene?
The IUPAC name of 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene (CID 146522341) is 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene.
What is the SMILES notation for 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene?
The canonical SMILES for 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene is CCc1ccc(-c2ccc(OC)cc2)c(F)c1.
What is the InChIKey of 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene?
The InChIKey is WKOZFNFFYBKCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO/c1-3-11-4-9-14(15(16)10-11)12-5-7-13(17-2)8-6-12/h4-10H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene?
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene has a molecular weight of 230.28 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene is sourced from PubChem (CID 146522341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).