(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol

C22H19NO — CID 15981834

IUPAC(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19NO/c24-22(17-11-5-2-6-12-17)21(16-9-3-1-4-10-16)19-15-23-20-14-8-7-13-18(19)20/h1-15,21-24H/t21-,22+/m1/s1
InChIKeyWBIPFJBIRRHVFQ-YADHBBJMSA-N
MW313.40 g/mol
LogP5.03
Rot. Bonds4

About (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol

(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol (PubChem CID 15981834) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
PubChem CID15981834
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19NO/c24-22(17-11-5-2-6-12-17)21(16-9-3-1-4-10-16)19-15-23-20-14-8-7-13-18(19)20/h1-15,21-24H/t21-,22+/m1/s1
InChIKeyWBIPFJBIRRHVFQ-YADHBBJMSA-N
XLogP5.03
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
CID 72707576
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
CID 73349379
(1S)-1,2,2-triphenylethanol
CID 38988933
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
1-O-ethyl 3-O-methyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]propanedioate
CID 2036724
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol?
The IUPAC name of (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol (CID 15981834) is (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol.
What is the SMILES notation for (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol?
The canonical SMILES for (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol?
The InChIKey is WBIPFJBIRRHVFQ-YADHBBJMSA-N. The full InChI is InChI=1S/C22H19NO/c24-22(17-11-5-2-6-12-17)21(16-9-3-1-4-10-16)19-15-23-20-14-8-7-13-18(19)20/h1-15,21-24H/t21-,22+/m1/s1.
What are the key properties of (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol?
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol has a molecular weight of 313.40 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol is sourced from PubChem (CID 15981834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).