(2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol

C23H32O6 — CID 10408939

IUPAC(2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol
SMILESCOc1ccc(OC)c([C@H](OC)[C@@H](C)C[C@H](O)[C@@H](CO)OCc2ccccc2)c1
InChIInChI=1S/C23H32O6/c1-16(23(28-4)19-13-18(26-2)10-11-21(19)27-3)12-20(25)22(14-24)29-15-17-8-6-5-7-9-17/h5-11,13,16,20,22-25H,12,14-15H2,1-4H3/t16-,20-,22+,23+/m0/s1
InChIKeySSFQPMBUHCWAEU-ZOGZYCIHSA-N
MW404.50 g/mol
LogP3.36
Rot. Bonds12

About (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol

(2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol (PubChem CID 10408939) has the molecular formula C23H32O6 and a molecular weight of 404.50 g/mol. Its IUPAC name is (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol.

Molecular Properties

Compound Name(2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol
PubChem CID10408939
Molecular FormulaC23H32O6
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name(2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol
SMILESCOc1ccc(OC)c([C@H](OC)[C@@H](C)C[C@H](O)[C@@H](CO)OCc2ccccc2)c1
InChIInChI=1S/C23H32O6/c1-16(23(28-4)19-13-18(26-2)10-11-21(19)27-3)12-20(25)22(14-24)29-15-17-8-6-5-7-9-17/h5-11,13,16,20,22-25H,12,14-15H2,1-4H3/t16-,20-,22+,23+/m0/s1
InChIKeySSFQPMBUHCWAEU-ZOGZYCIHSA-N
XLogP3.36
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol with MolForge

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Related Compounds

(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
CID 69346055
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171266887
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
(2R)-2-[(1R)-1-(2-methoxy-5-phenylmethoxyphenyl)ethoxy]propan-1-ol
CID 10663217
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
benzyl 2-acetyl-3-(2,5-dimethoxyphenyl)butanoate
CID 18370526
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol?
The IUPAC name of (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol (CID 10408939) is (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol.
What is the SMILES notation for (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol?
The canonical SMILES for (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol is COc1ccc(OC)c([C@H](OC)[C@@H](C)C[C@H](O)[C@@H](CO)OCc2ccccc2)c1.
What is the InChIKey of (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol?
The InChIKey is SSFQPMBUHCWAEU-ZOGZYCIHSA-N. The full InChI is InChI=1S/C23H32O6/c1-16(23(28-4)19-13-18(26-2)10-11-21(19)27-3)12-20(25)22(14-24)29-15-17-8-6-5-7-9-17/h5-11,13,16,20,22-25H,12,14-15H2,1-4H3/t16-,20-,22+,23+/m0/s1.
What are the key properties of (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol?
(2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol has a molecular weight of 404.50 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6R)-6-(2,5-dimethoxyphenyl)-6-methoxy-5-methyl-2-phenylmethoxyhexane-1,3-diol is sourced from PubChem (CID 10408939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).