(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol

C25H22O3 — CID 71067480

IUPAC(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)CC1O
InChIInChI=1S/C25H22O3/c26-15-25-23(27)14-24(28-25)22-10-9-20-12-19(7-8-21(20)13-22)18-6-5-16-3-1-2-4-17(16)11-18/h1-13,23-27H,14-15H2/t23?,24-,25+/m0/s1
InChIKeyUDEZDDAYOSVFOH-NCPLZGKYSA-N
MW370.45 g/mol
LogP4.84
Rot. Bonds3

About (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol

(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol (PubChem CID 71067480) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
PubChem CID71067480
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)CC1O
InChIInChI=1S/C25H22O3/c26-15-25-23(27)14-24(28-25)22-10-9-20-12-19(7-8-21(20)13-22)18-6-5-16-3-1-2-4-17(16)11-18/h1-13,23-27H,14-15H2/t23?,24-,25+/m0/s1
InChIKeyUDEZDDAYOSVFOH-NCPLZGKYSA-N
XLogP4.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,5R)-2-(hydroxymethyl)-5-(7-phenylnaphthalen-2-yl)oxolan-3-ol
CID 23661140
(2R)-5-chrysen-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919947
(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919961
(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59119117
2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol
CID 123984855
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
(2R,3R,5R)-2-(hydroxymethyl)-5-(4-phenyldiazenylphenyl)oxolan-3-ol
CID 59119138
2-(hydroxymethyl)-5-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]oxolan-3-ol
CID 22897703
(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
CID 11702098
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol?
The IUPAC name of (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol (CID 71067480) is (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol.
What is the SMILES notation for (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol?
The canonical SMILES for (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol is OC[C@H]1O[C@H](c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)CC1O.
What is the InChIKey of (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol?
The InChIKey is UDEZDDAYOSVFOH-NCPLZGKYSA-N. The full InChI is InChI=1S/C25H22O3/c26-15-25-23(27)14-24(28-25)22-10-9-20-12-19(7-8-21(20)13-22)18-6-5-16-3-1-2-4-17(16)11-18/h1-13,23-27H,14-15H2/t23?,24-,25+/m0/s1.
What are the key properties of (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol?
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol has a molecular weight of 370.45 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol is sourced from PubChem (CID 71067480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).