(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol

C21H20O2 — CID 101086399

IUPAC(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
SMILESO[C@H]1C[C@@H](c2ccc3ccccc3c2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H20O2/c22-19-13-20(16-7-2-1-3-8-16)23-21(14-19)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-22H,13-14H2/t19-,20-,21+/m1/s1
InChIKeyIFBSCVYMGVQJSW-NJYVYQBISA-N
MW304.39 g/mol
LogP4.79
Rot. Bonds2

About (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol

(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol (PubChem CID 101086399) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
PubChem CID101086399
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
SMILESO[C@H]1C[C@@H](c2ccc3ccccc3c2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H20O2/c22-19-13-20(16-7-2-1-3-8-16)23-21(14-19)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-22H,13-14H2/t19-,20-,21+/m1/s1
InChIKeyIFBSCVYMGVQJSW-NJYVYQBISA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(2R)-2-naphthalen-2-yloxirane
CID 10877557
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
(2R)-2-anthracen-2-yloxirane
CID 129361736
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
(2R,3S,5R)-2-(hydroxymethyl)-5-(7-phenylnaphthalen-2-yl)oxolan-3-ol
CID 23661140

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol?
The IUPAC name of (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol (CID 101086399) is (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol?
The canonical SMILES for (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol is O[C@H]1C[C@@H](c2ccc3ccccc3c2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol?
The InChIKey is IFBSCVYMGVQJSW-NJYVYQBISA-N. The full InChI is InChI=1S/C21H20O2/c22-19-13-20(16-7-2-1-3-8-16)23-21(14-19)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,19-22H,13-14H2/t19-,20-,21+/m1/s1.
What are the key properties of (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol?
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol has a molecular weight of 304.39 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol is sourced from PubChem (CID 101086399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).