(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol

C13H14ClNO3 — CID 54757675

IUPAC(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cc3cc(Cl)ccc3[nH]2)C[C@@H]1O
InChIInChI=1S/C13H14ClNO3/c14-8-1-2-9-7(3-8)4-10(15-9)12-5-11(17)13(6-16)18-12/h1-4,11-13,15-17H,5-6H2/t11-,12-,13+/m0/s1
InChIKeyOZFHIGUNQAZYRR-RWMBFGLXSA-N
MW267.71 g/mol
LogP2.00
Rot. Bonds2

About (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 54757675) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID54757675
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cc3cc(Cl)ccc3[nH]2)C[C@@H]1O
InChIInChI=1S/C13H14ClNO3/c14-8-1-2-9-7(3-8)4-10(15-9)12-5-11(17)13(6-16)18-12/h1-4,11-13,15-17H,5-6H2/t11-,12-,13+/m0/s1
InChIKeyOZFHIGUNQAZYRR-RWMBFGLXSA-N
XLogP2.00
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 54757675) is (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@H](c2cc3cc(Cl)ccc3[nH]2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OZFHIGUNQAZYRR-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-8-1-2-9-7(3-8)4-10(15-9)12-5-11(17)13(6-16)18-12/h1-4,11-13,15-17H,5-6H2/t11-,12-,13+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 267.71 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 54757675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).