(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol

C16H26O5 — CID 135011021

IUPAC(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
SMILESCOCO[C@H](CC[C@@H](C)O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H26O5/c1-13(17)4-7-16(21-12-18-2)11-20-10-14-5-8-15(19-3)9-6-14/h5-6,8-9,13,16-17H,4,7,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyQWCUOSDPWUMODF-CZUORRHYSA-N
MW298.38 g/mol
LogP2.36
Rot. Bonds11

About (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol

(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol (PubChem CID 135011021) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol.

Molecular Properties

Compound Name(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
PubChem CID135011021
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
SMILESCOCO[C@H](CC[C@@H](C)O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H26O5/c1-13(17)4-7-16(21-12-18-2)11-20-10-14-5-8-15(19-3)9-6-14/h5-6,8-9,13,16-17H,4,7,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyQWCUOSDPWUMODF-CZUORRHYSA-N
XLogP2.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
CID 11695341
(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 11471994
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
The IUPAC name of (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol (CID 135011021) is (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol.
What is the SMILES notation for (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
The canonical SMILES for (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol is COCO[C@H](CC[C@@H](C)O)COCc1ccc(OC)cc1.
What is the InChIKey of (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
The InChIKey is QWCUOSDPWUMODF-CZUORRHYSA-N. The full InChI is InChI=1S/C16H26O5/c1-13(17)4-7-16(21-12-18-2)11-20-10-14-5-8-15(19-3)9-6-14/h5-6,8-9,13,16-17H,4,7,10-12H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol?
(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol has a molecular weight of 298.38 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol is sourced from PubChem (CID 135011021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).