(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol

C24H22FNO3 — CID 69159890

IUPAC(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H22FNO3/c25-20-8-4-7-19(13-20)24(23(28)15-27)26-12-11-18-14-21(9-10-22(18)26)29-16-17-5-2-1-3-6-17/h1-14,23-24,27-28H,15-16H2/t23-,24+/m1/s1
InChIKeyYPYVZHONDSDHSJ-RPWUZVMVSA-N
MW391.44 g/mol
LogP4.30
Rot. Bonds7

About (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol

(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol (PubChem CID 69159890) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
PubChem CID69159890
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H22FNO3/c25-20-8-4-7-19(13-20)24(23(28)15-27)26-12-11-18-14-21(9-10-22(18)26)29-16-17-5-2-1-3-6-17/h1-14,23-24,27-28H,15-16H2/t23-,24+/m1/s1
InChIKeyYPYVZHONDSDHSJ-RPWUZVMVSA-N
XLogP4.30
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159723
[(3R,4S)-4-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-3-hydroxy-4-phenylbutyl]carbamic acid
CID 69457946
(1S,2R)-1-phenyl-1-(5-phenylmethoxyindol-1-yl)-3-(propylamino)propan-2-ol
CID 58837384
(1S,2R)-3-(4-methylpiperazin-1-yl)-1-phenyl-1-(5-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69159430
[(2R,3S)-2-hydroxy-3-[5-[(4-methoxyphenyl)methoxy]indol-1-yl]-3-phenylpropyl]-methylcarbamic acid
CID 69457423
1-(3-fluorophenyl)-5-phenylmethoxyindole
CID 177163801
methane;(1S,2R)-3-(methylamino)-1-phenyl-1-[5-(2-phenylethoxy)indol-1-yl]propan-2-ol;sulfane
CID 157086030
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
1-(5-chloroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906067
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]indole-4-carbonitrile
CID 68907607

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol?
The IUPAC name of (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol (CID 69159890) is (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol?
The canonical SMILES for (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol is OC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol?
The InChIKey is YPYVZHONDSDHSJ-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H22FNO3/c25-20-8-4-7-19(13-20)24(23(28)15-27)26-12-11-18-14-21(9-10-22(18)26)29-16-17-5-2-1-3-6-17/h1-14,23-24,27-28H,15-16H2/t23-,24+/m1/s1.
What are the key properties of (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol?
(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol has a molecular weight of 391.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol is sourced from PubChem (CID 69159890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).