(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one

C21H24O5 — CID 122178350

IUPAC(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccccc1C[C@H]1C(=O)OC[C@@H]1Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24O5/c1-23-18-7-5-4-6-15(18)12-17-16(13-26-21(17)22)10-14-8-9-19(24-2)20(11-14)25-3/h4-9,11,16-17H,10,12-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyJFKPJJUJGFTDSA-DLBZAZTESA-N
MW356.42 g/mol
LogP3.29
Rot. Bonds7

About (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one

(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one (PubChem CID 122178350) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one
PubChem CID122178350
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccccc1C[C@H]1C(=O)OC[C@@H]1Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24O5/c1-23-18-7-5-4-6-15(18)12-17-16(13-26-21(17)22)10-14-8-9-19(24-2)20(11-14)25-3/h4-9,11,16-17H,10,12-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyJFKPJJUJGFTDSA-DLBZAZTESA-N
XLogP3.29
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one (CID 122178350) is (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one is COc1ccccc1C[C@H]1C(=O)OC[C@@H]1Cc1ccc(OC)c(OC)c1.
What is the InChIKey of (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one?
The InChIKey is JFKPJJUJGFTDSA-DLBZAZTESA-N. The full InChI is InChI=1S/C21H24O5/c1-23-18-7-5-4-6-15(18)12-17-16(13-26-21(17)22)10-14-8-9-19(24-2)20(11-14)25-3/h4-9,11,16-17H,10,12-13H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one?
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one has a molecular weight of 356.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(2-methoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 122178350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).