[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol

C20H24O3 — CID 71734462

IUPAC[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol
SMILESC[C@H]1[C@H](CO)[C@H](c2ccccc2)O[C@]1(CO)Cc1ccccc1
InChIInChI=1S/C20H24O3/c1-15-18(13-21)19(17-10-6-3-7-11-17)23-20(15,14-22)12-16-8-4-2-5-9-16/h2-11,15,18-19,21-22H,12-14H2,1H3/t15-,18-,19-,20-/m0/s1
InChIKeyMYFDJBGCAATWIP-KNTRFNDTSA-N
MW312.41 g/mol
LogP2.98
Rot. Bonds5

About [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol

[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol (PubChem CID 71734462) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol
PubChem CID71734462
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol
SMILESC[C@H]1[C@H](CO)[C@H](c2ccccc2)O[C@]1(CO)Cc1ccccc1
InChIInChI=1S/C20H24O3/c1-15-18(13-21)19(17-10-6-3-7-11-17)23-20(15,14-22)12-16-8-4-2-5-9-16/h2-11,15,18-19,21-22H,12-14H2,1H3/t15-,18-,19-,20-/m0/s1
InChIKeyMYFDJBGCAATWIP-KNTRFNDTSA-N
XLogP2.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol (CID 71734462) is [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol is C[C@H]1[C@H](CO)[C@H](c2ccccc2)O[C@]1(CO)Cc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol?
The InChIKey is MYFDJBGCAATWIP-KNTRFNDTSA-N. The full InChI is InChI=1S/C20H24O3/c1-15-18(13-21)19(17-10-6-3-7-11-17)23-20(15,14-22)12-16-8-4-2-5-9-16/h2-11,15,18-19,21-22H,12-14H2,1H3/t15-,18-,19-,20-/m0/s1.
What are the key properties of [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol?
[(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol has a molecular weight of 312.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-5-benzyl-5-(hydroxymethyl)-4-methyl-2-phenyloxolan-3-yl]methanol is sourced from PubChem (CID 71734462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).