4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene

C18H21FO3 — CID 175148983

IUPAC4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene
SMILESCOc1cc(C)c(C(C)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C18H21FO3/c1-11-10-15(20-3)17(21-4)18(22-5)16(11)12(2)13-6-8-14(19)9-7-13/h6-10,12H,1-5H3
InChIKeyUESLNNJFKNJQAN-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.31
Rot. Bonds5

About 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene

4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene (PubChem CID 175148983) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene
PubChem CID175148983
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene
SMILESCOc1cc(C)c(C(C)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C18H21FO3/c1-11-10-15(20-3)17(21-4)18(22-5)16(11)12(2)13-6-8-14(19)9-7-13/h6-10,12H,1-5H3
InChIKeyUESLNNJFKNJQAN-UHFFFAOYSA-N
XLogP4.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene?
The IUPAC name of 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene (CID 175148983) is 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene is COc1cc(C)c(C(C)c2ccc(F)cc2)c(OC)c1OC.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene?
The InChIKey is UESLNNJFKNJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c1-11-10-15(20-3)17(21-4)18(22-5)16(11)12(2)13-6-8-14(19)9-7-13/h6-10,12H,1-5H3.
What are the key properties of 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene?
4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene has a molecular weight of 304.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene is sourced from PubChem (CID 175148983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).