(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one

C22H26O8 — CID 11633104

IUPAC(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
SMILESCOc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C22H26O8/c1-26-16-7-12(8-17(27-2)20(16)23)5-14-11-30-22(25)15(14)6-13-9-18(28-3)21(24)19(10-13)29-4/h7-10,14-15,23-24H,5-6,11H2,1-4H3/t14-,15+/m0/s1
InChIKeyFOKBVCBNGPPEGA-LSDHHAIUSA-N
MW418.44 g/mol
LogP2.71
Rot. Bonds8

About (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one

(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one (PubChem CID 11633104) has the molecular formula C22H26O8 and a molecular weight of 418.44 g/mol. Its IUPAC name is (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
PubChem CID11633104
Molecular FormulaC22H26O8
Molecular Weight418.44 g/mol
Exact Mass418.16
IUPAC Name(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
SMILESCOc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C22H26O8/c1-26-16-7-12(8-17(27-2)20(16)23)5-14-11-30-22(25)15(14)6-13-9-18(28-3)21(24)19(10-13)29-4/h7-10,14-15,23-24H,5-6,11H2,1-4H3/t14-,15+/m0/s1
InChIKeyFOKBVCBNGPPEGA-LSDHHAIUSA-N
XLogP2.71
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 163046461
(3R,4R)-3-[[3-[5-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 155531872
4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CID 78201091
3-[(3,4-dihydroxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 73409570
(3S,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CID 10993417
(3S,4S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 11210543
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]oxolan-2-one
CID 10853716
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;propanoate
CID 131742255
4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 90277082
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 3,3-dimethylbutanoate
CID 71714075
3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
CID 72957977
3-[[3-[[2-chloroethyl(methyl)amino]methyl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one;hydrochloride
CID 21128527

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one (CID 11633104) is (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one is COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O.
What is the InChIKey of (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one?
The InChIKey is FOKBVCBNGPPEGA-LSDHHAIUSA-N. The full InChI is InChI=1S/C22H26O8/c1-26-16-7-12(8-17(27-2)20(16)23)5-14-11-30-22(25)15(14)6-13-9-18(28-3)21(24)19(10-13)29-4/h7-10,14-15,23-24H,5-6,11H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one?
(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one has a molecular weight of 418.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 11633104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).