(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol

C23H21NO2 — CID 69158114

IUPAC(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1ccccc1)n1ccc2c(-c3ccccc3)cccc21
InChIInChI=1S/C23H21NO2/c25-16-22(26)23(18-10-5-2-6-11-18)24-15-14-20-19(12-7-13-21(20)24)17-8-3-1-4-9-17/h1-15,22-23,25-26H,16H2/t22-,23+/m1/s1
InChIKeyNNVMRLIMIQRLHY-PKTZIBPZSA-N
MW343.43 g/mol
LogP4.25
Rot. Bonds5

About (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol

(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol (PubChem CID 69158114) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol
PubChem CID69158114
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol
SMILESOC[C@@H](O)[C@H](c1ccccc1)n1ccc2c(-c3ccccc3)cccc21
InChIInChI=1S/C23H21NO2/c25-16-22(26)23(18-10-5-2-6-11-18)24-15-14-20-19(12-7-13-21(20)24)17-8-3-1-4-9-17/h1-15,22-23,25-26H,16H2/t22-,23+/m1/s1
InChIKeyNNVMRLIMIQRLHY-PKTZIBPZSA-N
XLogP4.25
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluorophenyl)-2,3-dihydroxypropyl]indole-4-carbonitrile
CID 68907607
(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol
CID 58837428
1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11645255
(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol
CID 68902935
[2-hydroxy-3-phenyl-3-(7-phenylindol-1-yl)propyl] 4-methylbenzenesulfonate
CID 87717651
(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159723
(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
CID 59771315
(1S,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
CID 45486546
(2S,3S)-3-(5-chloro-7-methylpyrrolo[2,3-c]pyridin-1-yl)-3-phenylpropane-1,2-diol
CID 87717650
(2S,3S)-3-(3-tert-butylindol-1-yl)-3-(3-fluorophenyl)propane-1,2-diol
CID 68908036
(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159890
1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-ol
CID 69159022

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol?
The IUPAC name of (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol (CID 69158114) is (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol?
The canonical SMILES for (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol is OC[C@@H](O)[C@H](c1ccccc1)n1ccc2c(-c3ccccc3)cccc21.
What is the InChIKey of (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol?
The InChIKey is NNVMRLIMIQRLHY-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H21NO2/c25-16-22(26)23(18-10-5-2-6-11-18)24-15-14-20-19(12-7-13-21(20)24)17-8-3-1-4-9-17/h1-15,22-23,25-26H,16H2/t22-,23+/m1/s1.
What are the key properties of (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol?
(2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol has a molecular weight of 343.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenyl-3-(4-phenylindol-1-yl)propane-1,2-diol is sourced from PubChem (CID 69158114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).