(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol

C16H26O3 — CID 11219333

IUPAC(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
SMILESCOc1ccc(COC[C@H](C)C[C@H](C)CCO)cc1
InChIInChI=1S/C16H26O3/c1-13(8-9-17)10-14(2)11-19-12-15-4-6-16(18-3)7-5-15/h4-7,13-14,17H,8-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyLXQQUQFDMFQVBM-ZIAGYGMSSA-N
MW266.38 g/mol
LogP3.26
Rot. Bonds9

About (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol

(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol (PubChem CID 11219333) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
PubChem CID11219333
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
SMILESCOc1ccc(COC[C@H](C)C[C@H](C)CCO)cc1
InChIInChI=1S/C16H26O3/c1-13(8-9-17)10-14(2)11-19-12-15-4-6-16(18-3)7-5-15/h4-7,13-14,17H,8-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyLXQQUQFDMFQVBM-ZIAGYGMSSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one
CID 71524434
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
CID 101074120
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol?
The IUPAC name of (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol (CID 11219333) is (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol.
What is the SMILES notation for (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol?
The canonical SMILES for (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol is COc1ccc(COC[C@H](C)C[C@H](C)CCO)cc1.
What is the InChIKey of (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol?
The InChIKey is LXQQUQFDMFQVBM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(8-9-17)10-14(2)11-19-12-15-4-6-16(18-3)7-5-15/h4-7,13-14,17H,8-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol?
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol is sourced from PubChem (CID 11219333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).