[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate

C19H18O6 — CID 25016928

IUPAC[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate
SMILESCOc1ccc2c(c1)C(=O)[C@@H](OC(C)=O)[C@@](OC)(c1ccccc1)O2
InChIInChI=1S/C19H18O6/c1-12(20)24-18-17(21)15-11-14(22-2)9-10-16(15)25-19(18,23-3)13-7-5-4-6-8-13/h4-11,18H,1-3H3/t18-,19-/m1/s1
InChIKeyNJWFKOATWZWVJA-RTBURBONSA-N
MW342.35 g/mol
LogP2.70
Rot. Bonds4

About [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate

[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate (PubChem CID 25016928) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate
PubChem CID25016928
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate
SMILESCOc1ccc2c(c1)C(=O)[C@@H](OC(C)=O)[C@@](OC)(c1ccccc1)O2
InChIInChI=1S/C19H18O6/c1-12(20)24-18-17(21)15-11-14(22-2)9-10-16(15)25-19(18,23-3)13-7-5-4-6-8-13/h4-11,18H,1-3H3/t18-,19-/m1/s1
InChIKeyNJWFKOATWZWVJA-RTBURBONSA-N
XLogP2.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate?
The IUPAC name of [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate (CID 25016928) is [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate?
The canonical SMILES for [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate is COc1ccc2c(c1)C(=O)[C@@H](OC(C)=O)[C@@](OC)(c1ccccc1)O2.
What is the InChIKey of [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate?
The InChIKey is NJWFKOATWZWVJA-RTBURBONSA-N. The full InChI is InChI=1S/C19H18O6/c1-12(20)24-18-17(21)15-11-14(22-2)9-10-16(15)25-19(18,23-3)13-7-5-4-6-8-13/h4-11,18H,1-3H3/t18-,19-/m1/s1.
What are the key properties of [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate?
[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate has a molecular weight of 342.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate is sourced from PubChem (CID 25016928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).