(3S)-2-amino-3-phenylindol-3-ol

C14H12N2O — CID 129405723

IUPAC(3S)-2-amino-3-phenylindol-3-ol
SMILESNC1=Nc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C14H12N2O/c15-13-14(17,10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,17H,(H2,15,16)/t14-/m0/s1
InChIKeyDYRLRFXNPWUDTO-AWEZNQCLSA-N
MW224.26 g/mol
LogP1.92
Rot. Bonds1

About (3S)-2-amino-3-phenylindol-3-ol

(3S)-2-amino-3-phenylindol-3-ol (PubChem CID 129405723) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (3S)-2-amino-3-phenylindol-3-ol.

Molecular Properties

Compound Name(3S)-2-amino-3-phenylindol-3-ol
PubChem CID129405723
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(3S)-2-amino-3-phenylindol-3-ol
SMILESNC1=Nc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C14H12N2O/c15-13-14(17,10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,17H,(H2,15,16)/t14-/m0/s1
InChIKeyDYRLRFXNPWUDTO-AWEZNQCLSA-N
XLogP1.92
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-amino-3-phenylindol-3-ol?
The IUPAC name of (3S)-2-amino-3-phenylindol-3-ol (CID 129405723) is (3S)-2-amino-3-phenylindol-3-ol.
What is the SMILES notation for (3S)-2-amino-3-phenylindol-3-ol?
The canonical SMILES for (3S)-2-amino-3-phenylindol-3-ol is NC1=Nc2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (3S)-2-amino-3-phenylindol-3-ol?
The InChIKey is DYRLRFXNPWUDTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12N2O/c15-13-14(17,10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,17H,(H2,15,16)/t14-/m0/s1.
What are the key properties of (3S)-2-amino-3-phenylindol-3-ol?
(3S)-2-amino-3-phenylindol-3-ol has a molecular weight of 224.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-amino-3-phenylindol-3-ol is sourced from PubChem (CID 129405723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).