(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol

C25H28O6 — CID 67864554

IUPAC(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
SMILESCOc1ccc(C(OC[C@@H](O)[C@H](O)CO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O6/c1-29-21-12-8-19(9-13-21)25(18-6-4-3-5-7-18,31-17-24(28)23(27)16-26)20-10-14-22(30-2)15-11-20/h3-15,23-24,26-28H,16-17H2,1-2H3/t23-,24-/m1/s1
InChIKeyCWSKDEJZBDFEBX-DNQXCXABSA-N
MW424.49 g/mol
LogP2.73
Rot. Bonds10

About (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol

(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol (PubChem CID 67864554) has the molecular formula C25H28O6 and a molecular weight of 424.49 g/mol. Its IUPAC name is (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
PubChem CID67864554
Molecular FormulaC25H28O6
Molecular Weight424.49 g/mol
Exact Mass424.19
IUPAC Name(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
SMILESCOc1ccc(C(OC[C@@H](O)[C@H](O)CO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O6/c1-29-21-12-8-19(9-13-21)25(18-6-4-3-5-7-18,31-17-24(28)23(27)16-26)20-10-14-22(30-2)15-11-20/h3-15,23-24,26-28H,16-17H2,1-2H3/t23-,24-/m1/s1
InChIKeyCWSKDEJZBDFEBX-DNQXCXABSA-N
XLogP2.73
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
CID 11761668
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
2-bromo-2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
CID 66776928
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
CID 11408463
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol?
The IUPAC name of (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol (CID 67864554) is (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol.
What is the SMILES notation for (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol?
The canonical SMILES for (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol is COc1ccc(C(OC[C@@H](O)[C@H](O)CO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol?
The InChIKey is CWSKDEJZBDFEBX-DNQXCXABSA-N. The full InChI is InChI=1S/C25H28O6/c1-29-21-12-8-19(9-13-21)25(18-6-4-3-5-7-18,31-17-24(28)23(27)16-26)20-10-14-22(30-2)15-11-20/h3-15,23-24,26-28H,16-17H2,1-2H3/t23-,24-/m1/s1.
What are the key properties of (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol?
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol has a molecular weight of 424.49 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol is sourced from PubChem (CID 67864554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).