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

C18H20F2O3 — CID 127044093

IUPAC2-[3-(2,5-difluorophenyl)propyl]-1,3,5-trimethoxybenzene
SMILESCOC1=CC(=C(C(=C1)OC)CCCC2=C(C=CC(=C2)F)F)OC
InChIInChI=1S/C18H20F2O3/c1-21-14-10-17(22-2)15(18(11-14)23-3)6-4-5-12-9-13(19)7-8-16(12)20/h7-11H,4-6H2,1-3H3
InChIKeyOKNRMXLIUYVINE-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.80
Rot. Bonds7

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

2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene (PubChem CID 127044093) has the molecular formula C18H20F2O3 and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-[3-(2,5-difluorophenyl)propyl]-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene
PubChem CID127044093
Molecular FormulaC18H20F2O3
Molecular Weight322.30 g/mol
Exact Mass322.14
IUPAC Name2-[3-(2,5-difluorophenyl)propyl]-1,3,5-trimethoxybenzene
SMILESCOC1=CC(=C(C(=C1)OC)CCCC2=C(C=CC(=C2)F)F)OC
InChIInChI=1S/C18H20F2O3/c1-21-14-10-17(22-2)15(18(11-14)23-3)6-4-5-12-9-13(19)7-8-16(12)20/h7-11H,4-6H2,1-3H3
InChIKeyOKNRMXLIUYVINE-UHFFFAOYSA-N
XLogP4.80
TPSA27.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity328

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 181271
Osmorhizole
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CID 11356877

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene?
The IUPAC name of 2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene (CID 127044093) is 2-[3-(2,5-difluorophenyl)propyl]-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene is COC1=CC(=C(C(=C1)OC)CCCC2=C(C=CC(=C2)F)F)OC.
What is the InChIKey of 2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene?
The InChIKey is OKNRMXLIUYVINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O3/c1-21-14-10-17(22-2)15(18(11-14)23-3)6-4-5-12-9-13(19)7-8-16(12)20/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene?
2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene has a molecular weight of 322.30 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-Difluorophenyl)propyl]-1,3,5-trimethoxybenzene is sourced from PubChem (CID 127044093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).