(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970
(2R,3S)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-ol
CID 87769450
(2R)-5-chrysen-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919947
(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
CID 162037384
5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxochromene-3-carboxylic acid
CID 122496509
[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 57164696
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480
(2R,3S,5R)-5-(2-chloro-6-pyridin-2-yl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71763397
(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59119117
(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919961

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).