2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol

C24H20F6O4 — CID 14182043

IUPAC2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol
SMILESCCOc1c(F)cc(C(O)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1F
InChIInChI=1S/C24H20F6O4/c1-2-33-22-19(26)11-16(12-20(22)27)23(31,24(28,29)30)14-32-13-15-8-9-18(25)21(10-15)34-17-6-4-3-5-7-17/h3-12,31H,2,13-14H2,1H3
InChIKeyXSAHGCUQIJMWCG-UHFFFAOYSA-N
MW486.41 g/mol
LogP6.26
Rot. Bonds9

About 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol

2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol (PubChem CID 14182043) has the molecular formula C24H20F6O4 and a molecular weight of 486.41 g/mol. Its IUPAC name is 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol
PubChem CID14182043
Molecular FormulaC24H20F6O4
Molecular Weight486.41 g/mol
Exact Mass486.13
IUPAC Name2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol
SMILESCCOc1c(F)cc(C(O)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1F
InChIInChI=1S/C24H20F6O4/c1-2-33-22-19(26)11-16(12-20(22)27)23(31,24(28,29)30)14-32-13-15-8-9-18(25)21(10-15)34-17-6-4-3-5-7-17/h3-12,31H,2,13-14H2,1H3
InChIKeyXSAHGCUQIJMWCG-UHFFFAOYSA-N
XLogP6.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067125
Adlerol
CID 193461
1,1-Di-(4-methoxyphenyl)-1-[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]methanol
CID 16218252
3,4-Bis(benzyloxy)benzyl alcohol
CID 74338
Secoisolariciresinol-sesquilignan
CID 59728532
5-(4-ethoxyphenyl)-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 90644079

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol (CID 14182043) is 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol is CCOc1c(F)cc(C(O)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1F.
What is the InChIKey of 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol?
The InChIKey is XSAHGCUQIJMWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6O4/c1-2-33-22-19(26)11-16(12-20(22)27)23(31,24(28,29)30)14-32-13-15-8-9-18(25)21(10-15)34-17-6-4-3-5-7-17/h3-12,31H,2,13-14H2,1H3.
What are the key properties of 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol?
2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol has a molecular weight of 486.41 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,5-difluorophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 14182043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).