(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol

C15H16O3 — CID 174024474

IUPAC(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
SMILESOCC1O[C@@H](c2cccc3ccccc23)C[C@H]1O
InChIInChI=1S/C15H16O3/c16-9-15-13(17)8-14(18-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-17H,8-9H2/t13-,14-,15?/m1/s1
InChIKeyZXLOKLHRVRKUJB-GRKKQISMSA-N
MW244.29 g/mol
LogP2.02
Rot. Bonds2

About (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol

(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol (PubChem CID 174024474) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol.

Molecular Properties

Compound Name(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
PubChem CID174024474
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
SMILESOCC1O[C@@H](c2cccc3ccccc23)C[C@H]1O
InChIInChI=1S/C15H16O3/c16-9-15-13(17)8-14(18-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-17H,8-9H2/t13-,14-,15?/m1/s1
InChIKeyZXLOKLHRVRKUJB-GRKKQISMSA-N
XLogP2.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
The IUPAC name of (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol (CID 174024474) is (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol.
What is the SMILES notation for (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
The canonical SMILES for (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol is OCC1O[C@@H](c2cccc3ccccc23)C[C@H]1O.
What is the InChIKey of (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
The InChIKey is ZXLOKLHRVRKUJB-GRKKQISMSA-N. The full InChI is InChI=1S/C15H16O3/c16-9-15-13(17)8-14(18-15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-17H,8-9H2/t13-,14-,15?/m1/s1.
What are the key properties of (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol has a molecular weight of 244.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol is sourced from PubChem (CID 174024474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).