4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene

C48H42F4O3 — CID 174326708

IUPAC4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene
SMILESCC(OC(C)(c1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(F)cc1)C1CC1)(c1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C48H42F4O3/c1-47(45(31-13-14-31)33-17-23-37(49)24-18-33,35-21-27-41(51)43(29-35)53-39-9-5-3-6-10-39)55-48(2,46(32-15-16-32)34-19-25-38(50)26-20-34)36-22-28-42(52)44(30-36)54-40-11-7-4-8-12-40/h3-12,17-32,45-46H,13-16H2,1-2H3
InChIKeyZAEUSFNXXKEROF-UHFFFAOYSA-N
MW742.85 g/mol
LogP13.36
Rot. Bonds14

About 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene

4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene (PubChem CID 174326708) has the molecular formula C48H42F4O3 and a molecular weight of 742.85 g/mol. Its IUPAC name is 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene
PubChem CID174326708
Molecular FormulaC48H42F4O3
Molecular Weight742.85 g/mol
Exact Mass742.31
IUPAC Name4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene
SMILESCC(OC(C)(c1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(F)cc1)C1CC1)(c1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C48H42F4O3/c1-47(45(31-13-14-31)33-17-23-37(49)24-18-33,35-21-27-41(51)43(29-35)53-39-9-5-3-6-10-39)55-48(2,46(32-15-16-32)34-19-25-38(50)26-20-34)36-22-28-42(52)44(30-36)54-40-11-7-4-8-12-40/h3-12,17-32,45-46H,13-16H2,1-2H3
InChIKeyZAEUSFNXXKEROF-UHFFFAOYSA-N
XLogP13.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.85
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene with MolForge

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Launch Full Analysis

Related Compounds

2-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 11397324
(2R,3S)-3-acetyloxy-2-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-methylbutanoic acid
CID 70125450
4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
CID 174257785
1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate
CID 54402666
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 70013522
(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
CID 54515227
4-[(Z,4R)-4-(4-chlorophenyl)-4-cyclopropyl-3-fluorobut-2-enyl]-1-fluoro-2-phenoxybenzene;2-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 160872058
(2R,3R)-2-[(2S)-2-(4-chlorophenyl)-2-cyclopropylethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 154452581
1,2-diethoxy-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-en-3-yl]benzene
CID 70412699
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene (CID 174326708) is 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene is CC(OC(C)(c1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(F)cc1)C1CC1)(c1ccc(F)c(Oc2ccccc2)c1)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene?
The InChIKey is ZAEUSFNXXKEROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42F4O3/c1-47(45(31-13-14-31)33-17-23-37(49)24-18-33,35-21-27-41(51)43(29-35)53-39-9-5-3-6-10-39)55-48(2,46(32-15-16-32)34-19-25-38(50)26-20-34)36-22-28-42(52)44(30-36)54-40-11-7-4-8-12-40/h3-12,17-32,45-46H,13-16H2,1-2H3.
What are the key properties of 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene?
4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene has a molecular weight of 742.85 g/mol, XLogP of 13.36, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 174326708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).