1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene

C20H25FO3 — CID 173219206

IUPAC1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene
SMILESCCOc1cc(OCC)c(CCc2ccccc2F)c(OCC)c1
InChIInChI=1S/C20H25FO3/c1-4-22-16-13-19(23-5-2)17(20(14-16)24-6-3)12-11-15-9-7-8-10-18(15)21/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyAAYCCWCTJBVEOE-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.81
Rot. Bonds9

About 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene

1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene (PubChem CID 173219206) has the molecular formula C20H25FO3 and a molecular weight of 332.42 g/mol. Its IUPAC name is 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene
PubChem CID173219206
Molecular FormulaC20H25FO3
Molecular Weight332.42 g/mol
Exact Mass332.18
IUPAC Name1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene
SMILESCCOc1cc(OCC)c(CCc2ccccc2F)c(OCC)c1
InChIInChI=1S/C20H25FO3/c1-4-22-16-13-19(23-5-2)17(20(14-16)24-6-3)12-11-15-9-7-8-10-18(15)21/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyAAYCCWCTJBVEOE-UHFFFAOYSA-N
XLogP4.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene?
The IUPAC name of 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene (CID 173219206) is 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene?
The canonical SMILES for 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene is CCOc1cc(OCC)c(CCc2ccccc2F)c(OCC)c1.
What is the InChIKey of 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene?
The InChIKey is AAYCCWCTJBVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO3/c1-4-22-16-13-19(23-5-2)17(20(14-16)24-6-3)12-11-15-9-7-8-10-18(15)21/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene?
1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene has a molecular weight of 332.42 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 173219206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).