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

C15H16O3 — CID 66870779

IUPAC(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
SMILESOC[C@H]1OC(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+/m0/s1
InChIKeyZXLOKLHRVRKUJB-ZHDDOTHNSA-N
MW244.29 g/mol
LogP2.02
Rot. Bonds2

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

(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol (PubChem CID 66870779) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
PubChem CID66870779
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
SMILESOC[C@H]1OC(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+/m0/s1
InChIKeyZXLOKLHRVRKUJB-ZHDDOTHNSA-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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Related Compounds

D-Ribitol, 1,4-anhydro-1-C-phenyl-, (1S)-
CID 5271317
1,2-Dihydroxy-1,2-dihydrophenanthrene
CID 147284
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(4-methylphenyl)phenyl]oxane-3,4,5-triol
CID 9797582
(1S)-1,5-anhydro-1-[3-(azulen-2-ylmethyl)phenyl]-D-glucitol
CID 9886174
(2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 9929398
(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 10125816
(2S,3R,4R,5S,6R)-2-[3-[(1-benzylazulen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58786137
(2S,3R,4R,5S,6R)-2-[5-(azulen-2-ylmethyl)-2-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58786147
(2S,3R,4R,5S,6R)-2-[3-(azulen-6-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58786158
(2S,3R,4R,5S,6R)-2-[7-[(4-ethylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 126646969
(2S,3R,4R,5S,6R)-2-[3-[(4-ethylphenyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 85473013
1,2-Anthracenediol, 1,2-dihydro-, (1R-trans)-
CID 179115

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol (CID 66870779) is (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol is OC[C@H]1OC(c2cccc3ccccc23)C[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
The InChIKey is ZXLOKLHRVRKUJB-ZHDDOTHNSA-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+/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol?
(2R,3S)-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 (2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol is sourced from PubChem (CID 66870779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).