(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one

C18H28O5 — CID 101074120

IUPAC(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
SMILESCOc1ccc(COC[C@@H](C)C(=O)[C@H](C)[C@H](O)CCCO)cc1
InChIInChI=1S/C18H28O5/c1-13(18(21)14(2)17(20)5-4-10-19)11-23-12-15-6-8-16(22-3)9-7-15/h6-9,13-14,17,19-20H,4-5,10-12H2,1-3H3/t13-,14-,17-/m1/s1
InChIKeyUXKZITQMZYGWPO-CKEIUWERSA-N
MW324.42 g/mol
LogP2.19
Rot. Bonds11

About (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one

(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one (PubChem CID 101074120) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one.

Molecular Properties

Compound Name(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
PubChem CID101074120
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
SMILESCOc1ccc(COC[C@@H](C)C(=O)[C@H](C)[C@H](O)CCCO)cc1
InChIInChI=1S/C18H28O5/c1-13(18(21)14(2)17(20)5-4-10-19)11-23-12-15-6-8-16(22-3)9-7-15/h6-9,13-14,17,19-20H,4-5,10-12H2,1-3H3/t13-,14-,17-/m1/s1
InChIKeyUXKZITQMZYGWPO-CKEIUWERSA-N
XLogP2.19
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one with MolForge

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Related Compounds

5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
CID 58822522
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(4S,5R)-6-[(4-methoxyphenyl)methoxy]-4-methylhex-2-yne-1,5-diol
CID 11747474
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one?
The IUPAC name of (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one (CID 101074120) is (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one.
What is the SMILES notation for (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one?
The canonical SMILES for (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one is COc1ccc(COC[C@@H](C)C(=O)[C@H](C)[C@H](O)CCCO)cc1.
What is the InChIKey of (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one?
The InChIKey is UXKZITQMZYGWPO-CKEIUWERSA-N. The full InChI is InChI=1S/C18H28O5/c1-13(18(21)14(2)17(20)5-4-10-19)11-23-12-15-6-8-16(22-3)9-7-15/h6-9,13-14,17,19-20H,4-5,10-12H2,1-3H3/t13-,14-,17-/m1/s1.
What are the key properties of (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one?
(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one has a molecular weight of 324.42 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one is sourced from PubChem (CID 101074120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).