4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol

C19H18F2O2 — CID 141024524

IUPAC4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
SMILESOC(Cc1ccc(F)c(Oc2ccccc2)c1)C(F)=CC1CC1
InChIInChI=1S/C19H18F2O2/c20-16-9-8-14(11-18(22)17(21)10-13-6-7-13)12-19(16)23-15-4-2-1-3-5-15/h1-5,8-10,12-13,18,22H,6-7,11H2
InChIKeyRZNHDVJRUFNIOH-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.78
Rot. Bonds6

About 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol

4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol (PubChem CID 141024524) has the molecular formula C19H18F2O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
PubChem CID141024524
Molecular FormulaC19H18F2O2
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
SMILESOC(Cc1ccc(F)c(Oc2ccccc2)c1)C(F)=CC1CC1
InChIInChI=1S/C19H18F2O2/c20-16-9-8-14(11-18(22)17(21)10-13-6-7-13)12-19(16)23-15-4-2-1-3-5-15/h1-5,8-10,12-13,18,22H,6-7,11H2
InChIKeyRZNHDVJRUFNIOH-UHFFFAOYSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 54171440
cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 70013522
2-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 11397324
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
CID 19754847
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-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
CID 54515227
1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol
CID 152746808
2-(4-fluoro-3-phenoxyphenyl)acetonitrile
CID 11172199
4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
CID 174257785

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol?
The IUPAC name of 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol (CID 141024524) is 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol?
The canonical SMILES for 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol is OC(Cc1ccc(F)c(Oc2ccccc2)c1)C(F)=CC1CC1.
What is the InChIKey of 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol?
The InChIKey is RZNHDVJRUFNIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O2/c20-16-9-8-14(11-18(22)17(21)10-13-6-7-13)12-19(16)23-15-4-2-1-3-5-15/h1-5,8-10,12-13,18,22H,6-7,11H2.
What are the key properties of 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol?
4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol has a molecular weight of 316.35 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 141024524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).