(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one

C19H26O5 — CID 71524434

IUPAC(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one
SMILESCOc1ccc(COC[C@H](C)C[C@H](C)[C@H]2OC(O)C=CC2=O)cc1
InChIInChI=1S/C19H26O5/c1-13(10-14(2)19-17(20)8-9-18(21)24-19)11-23-12-15-4-6-16(22-3)7-5-15/h4-9,13-14,18-19,21H,10-12H2,1-3H3/t13-,14+,18?,19-/m1/s1
InChIKeyVGGXBSKFQCWCKB-BJFKFPEYSA-N
MW334.41 g/mol
LogP2.72
Rot. Bonds8

About (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one

(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one (PubChem CID 71524434) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one.

Molecular Properties

Compound Name(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one
PubChem CID71524434
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one
SMILESCOc1ccc(COC[C@H](C)C[C@H](C)[C@H]2OC(O)C=CC2=O)cc1
InChIInChI=1S/C19H26O5/c1-13(10-14(2)19-17(20)8-9-18(21)24-19)11-23-12-15-4-6-16(22-3)7-5-15/h4-9,13-14,18-19,21H,10-12H2,1-3H3/t13-,14+,18?,19-/m1/s1
InChIKeyVGGXBSKFQCWCKB-BJFKFPEYSA-N
XLogP2.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one
CID 11045248
(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(2R)-2-[(4S,5R,6S)-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 11502718
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
1-[[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]methyl]-4-methoxybenzene
CID 10903767
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992

Frequently Asked Questions

What is the IUPAC name of (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one?
The IUPAC name of (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one (CID 71524434) is (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one.
What is the SMILES notation for (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one?
The canonical SMILES for (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one is COc1ccc(COC[C@H](C)C[C@H](C)[C@H]2OC(O)C=CC2=O)cc1.
What is the InChIKey of (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one?
The InChIKey is VGGXBSKFQCWCKB-BJFKFPEYSA-N. The full InChI is InChI=1S/C19H26O5/c1-13(10-14(2)19-17(20)8-9-18(21)24-19)11-23-12-15-4-6-16(22-3)7-5-15/h4-9,13-14,18-19,21H,10-12H2,1-3H3/t13-,14+,18?,19-/m1/s1.
What are the key properties of (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one?
(6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one has a molecular weight of 334.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-hydroxy-6-[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-yl]-2H-pyran-5-one is sourced from PubChem (CID 71524434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).