(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol

C20H26O4 — CID 101412286

IUPAC(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
SMILESCO[C@](C)(c1ccccc1)[C@H](O)[C@@H](O)[C@](C)(OC)c1ccccc1
InChIInChI=1S/C20H26O4/c1-19(23-3,15-11-7-5-8-12-15)17(21)18(22)20(2,24-4)16-13-9-6-10-14-16/h5-14,17-18,21-22H,1-4H3/t17-,18-,19-,20-/m1/s1
InChIKeyDRYLNCKIDMSVBH-UAFMIMERSA-N
MW330.42 g/mol
LogP2.83
Rot. Bonds7

About (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol

(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol (PubChem CID 101412286) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
PubChem CID101412286
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
SMILESCO[C@](C)(c1ccccc1)[C@H](O)[C@@H](O)[C@](C)(OC)c1ccccc1
InChIInChI=1S/C20H26O4/c1-19(23-3,15-11-7-5-8-12-15)17(21)18(22)20(2,24-4)16-13-9-6-10-14-16/h5-14,17-18,21-22H,1-4H3/t17-,18-,19-,20-/m1/s1
InChIKeyDRYLNCKIDMSVBH-UAFMIMERSA-N
XLogP2.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1-fluoro-1-methoxyethyl)benzene
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3-methoxy-2,3-diphenylbutan-2-ol
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[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene
CID 141207627
aluminum;methoxy(phenyl)methanediol;trichloride
CID 173442251
[hydroperoxy(dimethoxy)methyl]benzene
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(2,2-dichloro-1,1-dimethoxyethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol (CID 101412286) is (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol is CO[C@](C)(c1ccccc1)[C@H](O)[C@@H](O)[C@](C)(OC)c1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol?
The InChIKey is DRYLNCKIDMSVBH-UAFMIMERSA-N. The full InChI is InChI=1S/C20H26O4/c1-19(23-3,15-11-7-5-8-12-15)17(21)18(22)20(2,24-4)16-13-9-6-10-14-16/h5-14,17-18,21-22H,1-4H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol?
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol has a molecular weight of 330.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol is sourced from PubChem (CID 101412286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).