2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene

C18H21FO3 — CID 127043932

IUPAC2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(CCCc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C18H21FO3/c1-20-15-11-17(21-2)16(18(12-15)22-3)9-5-7-13-6-4-8-14(19)10-13/h4,6,8,10-12H,5,7,9H2,1-3H3
InChIKeyRAYKRGBIASEULX-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.03
Rot. Bonds7

About 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene

2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene (PubChem CID 127043932) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene
PubChem CID127043932
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(CCCc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C18H21FO3/c1-20-15-11-17(21-2)16(18(12-15)22-3)9-5-7-13-6-4-8-14(19)10-13/h4,6,8,10-12H,5,7,9H2,1-3H3
InChIKeyRAYKRGBIASEULX-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene?
The IUPAC name of 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene (CID 127043932) is 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene is COc1cc(OC)c(CCCc2cccc(F)c2)c(OC)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene?
The InChIKey is RAYKRGBIASEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c1-20-15-11-17(21-2)16(18(12-15)22-3)9-5-7-13-6-4-8-14(19)10-13/h4,6,8,10-12H,5,7,9H2,1-3H3.
What are the key properties of 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene?
2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene has a molecular weight of 304.36 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)propyl]-1,3,5-trimethoxybenzene is sourced from PubChem (CID 127043932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).