(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one

C22H20FNO3 — CID 70391742

IUPAC(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one
SMILESCn1c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H20FNO3/c1-24-19-5-3-2-4-18(19)22(14-6-8-15(23)9-7-14)20(24)11-10-17-12-16(25)13-21(26)27-17/h2-11,16-17,25H,12-13H2,1H3/b11-10+/t16-,17-/m1/s1
InChIKeyAEGFBTYEVOMPBR-XXRWXEQKSA-N
MW365.40 g/mol
LogP4.06
Rot. Bonds3

About (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one

(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 70391742) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID70391742
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one
SMILESCn1c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H20FNO3/c1-24-19-5-3-2-4-18(19)22(14-6-8-15(23)9-7-14)20(24)11-10-17-12-16(25)13-21(26)27-17/h2-11,16-17,25H,12-13H2,1H3/b11-10+/t16-,17-/m1/s1
InChIKeyAEGFBTYEVOMPBR-XXRWXEQKSA-N
XLogP4.06
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one 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

6-[(E)-2-[3-(4-fluorophenyl)-1,6-di(propan-2-yl)indol-2-yl]ethenyl]-4-hydroxyoxan-2-one
CID 58821113
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 14229355
(4S,6R)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 11003967
6-[(E)-2-[2-cyclopropyl-4-(4-fluoro-3-propan-2-ylphenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one;6-[(E)-2-[3-(4-fluorophenyl)-1,5-di(propan-2-yl)indol-2-yl]ethenyl]-4-hydroxyoxan-2-one;6-[(E)-2-[3-(4-fluorophenyl)-1,6-di(propan-2-yl)indol-2-yl]ethenyl]-4-hydroxyoxan-2-one;6-[(E)-2-[3-(4-fluoro-3-propan-2-ylphenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one
CID 159122786
6-[(E)-2-[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]ethenyl]-4-hydroxyoxan-2-one
CID 14461255
(4S,6R)-6-[(E)-2-[2-(4-fluorophenyl)-5,5-dimethyl-4-phenylcyclopenta-1,3-dien-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 88615917
(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 142205899
(4S,6R)-6-[(E)-2-[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
CID 18634942
1-benzyl-5-(4-fluorophenyl)-6-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-7-propan-2-yl-1,8-naphthyridin-2-one
CID 67869276
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
6-[2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 70414341
(4S,6R)-6-[2-[4-(4-fluorophenyl)-2,2-dimethylthiochromen-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 70360455

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one (CID 70391742) is (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one is Cn1c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is AEGFBTYEVOMPBR-XXRWXEQKSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-24-19-5-3-2-4-18(19)22(14-6-8-15(23)9-7-14)20(24)11-10-17-12-16(25)13-21(26)27-17/h2-11,16-17,25H,12-13H2,1H3/b11-10+/t16-,17-/m1/s1.
What are the key properties of (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one?
(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 365.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-methylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 70391742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).