(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol

C16H26O6 — CID 11695341

IUPAC(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
SMILESCOCO[C@H]([C@@H](C)CO)[C@@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H26O6/c1-12(8-17)16(22-11-19-2)15(18)10-21-9-13-4-6-14(20-3)7-5-13/h4-7,12,15-18H,8-11H2,1-3H3/t12-,15-,16+/m0/s1
InChIKeyWQZKBGUVKXASDU-VBNZEHGJSA-N
MW314.38 g/mol
LogP1.19
Rot. Bonds11

About (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol

(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol (PubChem CID 11695341) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
PubChem CID11695341
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
SMILESCOCO[C@H]([C@@H](C)CO)[C@@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H26O6/c1-12(8-17)16(22-11-19-2)15(18)10-21-9-13-4-6-14(20-3)7-5-13/h4-7,12,15-18H,8-11H2,1-3H3/t12-,15-,16+/m0/s1
InChIKeyWQZKBGUVKXASDU-VBNZEHGJSA-N
XLogP1.19
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 135011021
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
(4S,5R)-6-[(4-methoxyphenyl)methoxy]-4-methylhex-2-yne-1,5-diol
CID 11747474
(2R,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhept-5-yn-1-ol
CID 102590404
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
CID 140633173
(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol?
The IUPAC name of (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol (CID 11695341) is (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol.
What is the SMILES notation for (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol?
The canonical SMILES for (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol is COCO[C@H]([C@@H](C)CO)[C@@H](O)COCc1ccc(OC)cc1.
What is the InChIKey of (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol?
The InChIKey is WQZKBGUVKXASDU-VBNZEHGJSA-N. The full InChI is InChI=1S/C16H26O6/c1-12(8-17)16(22-11-19-2)15(18)10-21-9-13-4-6-14(20-3)7-5-13/h4-7,12,15-18H,8-11H2,1-3H3/t12-,15-,16+/m0/s1.
What are the key properties of (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol?
(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol has a molecular weight of 314.38 g/mol, XLogP of 1.19, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol is sourced from PubChem (CID 11695341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).