1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione

C20H20F2O5 — CID 141003424

IUPAC1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
SMILESCOc1cc(C(=O)CCCC(=O)c2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C20H20F2O5/c1-25-18-9-12(10-19(26-2)20(18)27-3)16(23)5-4-6-17(24)14-8-7-13(21)11-15(14)22/h7-11H,4-6H2,1-3H3
InChIKeyJQYNFAWQHIVLBN-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.23
Rot. Bonds9

About 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione

1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione (PubChem CID 141003424) has the molecular formula C20H20F2O5 and a molecular weight of 378.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
PubChem CID141003424
Molecular FormulaC20H20F2O5
Molecular Weight378.37 g/mol
Exact Mass378.13
IUPAC Name1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
SMILESCOc1cc(C(=O)CCCC(=O)c2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C20H20F2O5/c1-25-18-9-12(10-19(26-2)20(18)27-3)16(23)5-4-6-17(24)14-8-7-13(21)11-15(14)22/h7-11H,4-6H2,1-3H3
InChIKeyJQYNFAWQHIVLBN-UHFFFAOYSA-N
XLogP4.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(4-fluoro-2-methoxyphenyl)butan-1-one
CID 146006790
5-chloro-1-(4-fluoro-2-methoxyphenyl)pentan-1-one
CID 146006797
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
1-(3,4,5-trimethoxyphenyl)hex-4-yn-1-one
CID 115801613
4-(4-fluoro-2-methoxyphenyl)-4-oxobutanoic acid
CID 177184211
ethyl 7-oxo-7-(3,4,5-trimethoxyphenyl)heptanoate
CID 24727690
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 53417201

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
The IUPAC name of 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione (CID 141003424) is 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione is COc1cc(C(=O)CCCC(=O)c2ccc(F)cc2F)cc(OC)c1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
The InChIKey is JQYNFAWQHIVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O5/c1-25-18-9-12(10-19(26-2)20(18)27-3)16(23)5-4-6-17(24)14-8-7-13(21)11-15(14)22/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione has a molecular weight of 378.37 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione is sourced from PubChem (CID 141003424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).