(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol

C24H23NO3 — CID 69159723

IUPAC(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C24H23NO3/c26-16-23(27)24(20-9-5-2-6-10-20)25-14-13-19-11-12-21(15-22(19)25)28-17-18-7-3-1-4-8-18/h1-15,23-24,26-27H,16-17H2/t23-,24+/m1/s1
InChIKeyKUAXIEWXAVIPRR-RPWUZVMVSA-N
MW373.45 g/mol
LogP4.16
Rot. Bonds7

About (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol

(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol (PubChem CID 69159723) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol
PubChem CID69159723
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C24H23NO3/c26-16-23(27)24(20-9-5-2-6-10-20)25-14-13-19-11-12-21(15-22(19)25)28-17-18-7-3-1-4-8-18/h1-15,23-24,26-27H,16-17H2/t23-,24+/m1/s1
InChIKeyKUAXIEWXAVIPRR-RPWUZVMVSA-N
XLogP4.16
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159890
(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-phenyl-6-phenylmethoxyindole
CID 22049132
[(3R,4S)-4-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-3-hydroxy-4-phenylbutyl]carbamic acid
CID 69457946
methane;(1S,2R)-3-(methylamino)-1-phenyl-1-[5-(2-phenylethoxy)indol-1-yl]propan-2-ol;sulfane
CID 157086030
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol
CID 69158114
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
(1S,2R)-3-(methylamino)-1-phenyl-1-(4-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69456550

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol?
The IUPAC name of (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol (CID 69159723) is (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol?
The canonical SMILES for (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol is OC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol?
The InChIKey is KUAXIEWXAVIPRR-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H23NO3/c26-16-23(27)24(20-9-5-2-6-10-20)25-14-13-19-11-12-21(15-22(19)25)28-17-18-7-3-1-4-8-18/h1-15,23-24,26-27H,16-17H2/t23-,24+/m1/s1.
What are the key properties of (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol?
(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol has a molecular weight of 373.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol is sourced from PubChem (CID 69159723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).