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

C51H44Cl2F4O5 — CID 160872058

IUPAC4-[(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
SMILESF/C(=C\Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H](c1ccc(Cl)cc1)C1CC1.O=C(O)C(F)(C(O)Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C26H23ClF2O4.C25H21ClF2O/c27-19-11-9-18(10-12-19)24(17-7-8-17)26(29,25(31)32)23(30)15-16-6-13-21(28)22(14-16)33-20-4-2-1-3-5-20;26-20-12-10-19(11-13-20)25(18-8-9-18)23(28)15-7-17-6-14-22(27)24(16-17)29-21-4-2-1-3-5-21/h1-6,9-14,17,23-24,30H,7-8,15H2,(H,31,32);1-6,10-16,18,25H,7-9H2/b;23-15-/t23?,24-,26?;25-/m11/s1
InChIKeySLWQKBPBFBYZGC-PXRDJCLQSA-N
MW883.81 g/mol
LogP14.02
Rot. Bonds16

About 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

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 (PubChem CID 160872058) has the molecular formula C51H44Cl2F4O5 and a molecular weight of 883.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID160872058
Molecular FormulaC51H44Cl2F4O5
Molecular Weight883.81 g/mol
Exact Mass882.25
IUPAC Name4-[(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
SMILESF/C(=C\Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H](c1ccc(Cl)cc1)C1CC1.O=C(O)C(F)(C(O)Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C26H23ClF2O4.C25H21ClF2O/c27-19-11-9-18(10-12-19)24(17-7-8-17)26(29,25(31)32)23(30)15-16-6-13-21(28)22(14-16)33-20-4-2-1-3-5-20;26-20-12-10-19(11-13-20)25(18-8-9-18)23(28)15-7-17-6-14-22(27)24(16-17)29-21-4-2-1-3-5-21/h1-6,9-14,17,23-24,30H,7-8,15H2,(H,31,32);1-6,10-16,18,25H,7-9H2/b;23-15-/t23?,24-,26?;25-/m11/s1
InChIKeySLWQKBPBFBYZGC-PXRDJCLQSA-N
XLogP14.02
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.81
LogP ≤ 514.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 11397324
(2R,3R)-2-[(2S)-2-(4-chlorophenyl)-2-cyclopropylethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 154452581
(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
CID 54515227
1-chloro-4-[(1R)-1-cyclopropyl-2-fluoro-4-[3-(4-fluorophenoxy)phenyl]but-2-enyl]benzene
CID 57096065
(2R,3S)-3-acetyloxy-2-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-methylbutanoic acid
CID 70125450
4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 141024524
cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 70013522
4-(4-chlorophenyl)-4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 54171440
4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
CID 174257785
4-[4-(4-chlorophenyl)-2,3-difluoro-5,5-dimethylhex-2-enyl]-1-fluoro-2-phenoxybenzene
CID 140995550
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is F/C(=C\Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H](c1ccc(Cl)cc1)C1CC1.O=C(O)C(F)(C(O)Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H](c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 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?
The InChIKey is SLWQKBPBFBYZGC-PXRDJCLQSA-N. The full InChI is InChI=1S/C26H23ClF2O4.C25H21ClF2O/c27-19-11-9-18(10-12-19)24(17-7-8-17)26(29,25(31)32)23(30)15-16-6-13-21(28)22(14-16)33-20-4-2-1-3-5-20;26-20-12-10-19(11-13-20)25(18-8-9-18)23(28)15-7-17-6-14-22(27)24(16-17)29-21-4-2-1-3-5-21/h1-6,9-14,17,23-24,30H,7-8,15H2,(H,31,32);1-6,10-16,18,25H,7-9H2/b;23-15-/t23?,24-,26?;25-/m11/s1.
What are the key properties of 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?
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 has a molecular weight of 883.81 g/mol, XLogP of 14.02, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160872058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).