(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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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).