(2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol

C32H32O4 — CID 18608296

IUPAC(2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol
SMILESCC(c1ccccc1)(c1ccccc1)c1cc(Cc2ccccc2)cc(OC2C[C@@H](O)[C@@H](CO)O2)c1
InChIInChI=1S/C32H32O4/c1-32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)27-18-24(17-23-11-5-2-6-12-23)19-28(20-27)35-31-21-29(34)30(22-33)36-31/h2-16,18-20,29-31,33-34H,17,21-22H2,1H3/t29-,30-,31?/m1/s1
InChIKeyYDRCUVHJCVXGPE-KCUXUGRMSA-N
MW480.60 g/mol
LogP5.48
Rot. Bonds8

About (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol

(2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 18608296) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID18608296
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Name(2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol
SMILESCC(c1ccccc1)(c1ccccc1)c1cc(Cc2ccccc2)cc(OC2C[C@@H](O)[C@@H](CO)O2)c1
InChIInChI=1S/C32H32O4/c1-32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)27-18-24(17-23-11-5-2-6-12-23)19-28(20-27)35-31-21-29(34)30(22-33)36-31/h2-16,18-20,29-31,33-34H,17,21-22H2,1H3/t29-,30-,31?/m1/s1
InChIKeyYDRCUVHJCVXGPE-KCUXUGRMSA-N
XLogP5.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
CID 170396579
(2R,3S)-2-(hydroxymethyl)-5-(11-tritylsulfanylundecoxy)oxolan-3-ol
CID 22869017
ethane;2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4-diol
CID 164565492
(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
CID 1126499
ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol
CID 142969500
(3S,4R,6S)-6-(2-anilinophenoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 163726855
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol
CID 76682354
2-(hydroxymethyl)-6-[2-[3-(hydroxymethyl)phenyl]phenoxy]oxane-3,4-diol
CID 142590214
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
CID 139670541
7-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one;methanol
CID 160690147
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol (CID 18608296) is (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol is CC(c1ccccc1)(c1ccccc1)c1cc(Cc2ccccc2)cc(OC2C[C@@H](O)[C@@H](CO)O2)c1.
What is the InChIKey of (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is YDRCUVHJCVXGPE-KCUXUGRMSA-N. The full InChI is InChI=1S/C32H32O4/c1-32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)27-18-24(17-23-11-5-2-6-12-23)19-28(20-27)35-31-21-29(34)30(22-33)36-31/h2-16,18-20,29-31,33-34H,17,21-22H2,1H3/t29-,30-,31?/m1/s1.
What are the key properties of (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 480.60 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-[3-benzyl-5-(1,1-diphenylethyl)phenoxy]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 18608296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).