(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one

C14H16O5 — CID 71428897

IUPAC(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2OC(=O)C[C@H]2C(C)=O)cc1OC
InChIInChI=1S/C14H16O5/c1-8(15)10-7-13(16)19-14(10)9-4-5-11(17-2)12(6-9)18-3/h4-6,10,14H,7H2,1-3H3/t10-,14-/m0/s1
InChIKeyUGADVQQKXGFQTG-HZMBPMFUSA-N
MW264.28 g/mol
LogP1.90
Rot. Bonds4

About (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one

(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one (PubChem CID 71428897) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
PubChem CID71428897
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2OC(=O)C[C@H]2C(C)=O)cc1OC
InChIInChI=1S/C14H16O5/c1-8(15)10-7-13(16)19-14(10)9-4-5-11(17-2)12(6-9)18-3/h4-6,10,14H,7H2,1-3H3/t10-,14-/m0/s1
InChIKeyUGADVQQKXGFQTG-HZMBPMFUSA-N
XLogP1.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one?
The IUPAC name of (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one (CID 71428897) is (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one is COc1ccc([C@@H]2OC(=O)C[C@H]2C(C)=O)cc1OC.
What is the InChIKey of (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one?
The InChIKey is UGADVQQKXGFQTG-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H16O5/c1-8(15)10-7-13(16)19-14(10)9-4-5-11(17-2)12(6-9)18-3/h4-6,10,14H,7H2,1-3H3/t10-,14-/m0/s1.
What are the key properties of (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one?
(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one has a molecular weight of 264.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one is sourced from PubChem (CID 71428897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).