1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane

C26H30F2O3 — CID 143904515

IUPAC1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane
SMILESCC.CCCc1cc(OC)ccc1-c1cc(-c2ccc(OC)cc2OC)c(F)cc1F
InChIInChI=1S/C24H24F2O3.C2H6/c1-5-6-15-11-16(27-2)7-9-18(15)20-13-21(23(26)14-22(20)25)19-10-8-17(28-3)12-24(19)29-4;1-2/h7-14H,5-6H2,1-4H3;1-2H3
InChIKeyMPSQZCKWCJJGLB-UHFFFAOYSA-N
MW428.52 g/mol
LogP7.30
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane

1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane (PubChem CID 143904515) has the molecular formula C26H30F2O3 and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane
PubChem CID143904515
Molecular FormulaC26H30F2O3
Molecular Weight428.52 g/mol
Exact Mass428.22
IUPAC Name1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane
SMILESCC.CCCc1cc(OC)ccc1-c1cc(-c2ccc(OC)cc2OC)c(F)cc1F
InChIInChI=1S/C24H24F2O3.C2H6/c1-5-6-15-11-16(27-2)7-9-18(15)20-13-21(23(26)14-22(20)25)19-10-8-17(28-3)12-24(19)29-4;1-2/h7-14H,5-6H2,1-4H3;1-2H3
InChIKeyMPSQZCKWCJJGLB-UHFFFAOYSA-N
XLogP7.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene
CID 143904516
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
5-methoxy-2-propylphenol
CID 12836519
4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
CID 43557702
ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene
CID 168958922
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane (CID 143904515) is 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane is CC.CCCc1cc(OC)ccc1-c1cc(-c2ccc(OC)cc2OC)c(F)cc1F.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane?
The InChIKey is MPSQZCKWCJJGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O3.C2H6/c1-5-6-15-11-16(27-2)7-9-18(15)20-13-21(23(26)14-22(20)25)19-10-8-17(28-3)12-24(19)29-4;1-2/h7-14H,5-6H2,1-4H3;1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane?
1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane has a molecular weight of 428.52 g/mol, XLogP of 7.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane is sourced from PubChem (CID 143904515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).