propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate

C21H22O5 — CID 23991653

IUPACpropan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate
SMILESCc1c(OCC(=O)OC(C)C)ccc2c1OC(O)C=C2c1ccccc1
InChIInChI=1S/C21H22O5/c1-13(2)25-20(23)12-24-18-10-9-16-17(15-7-5-4-6-8-15)11-19(22)26-21(16)14(18)3/h4-11,13,19,22H,12H2,1-3H3
InChIKeyCFDJIABFTLVTFO-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.47
Rot. Bonds5

About propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate

propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate (PubChem CID 23991653) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate
PubChem CID23991653
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Namepropan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate
SMILESCc1c(OCC(=O)OC(C)C)ccc2c1OC(O)C=C2c1ccccc1
InChIInChI=1S/C21H22O5/c1-13(2)25-20(23)12-24-18-10-9-16-17(15-7-5-4-6-8-15)11-19(22)26-21(16)14(18)3/h4-11,13,19,22H,12H2,1-3H3
InChIKeyCFDJIABFTLVTFO-UHFFFAOYSA-N
XLogP3.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate?
The IUPAC name of propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate (CID 23991653) is propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate.
What is the SMILES notation for propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate?
The canonical SMILES for propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate is Cc1c(OCC(=O)OC(C)C)ccc2c1OC(O)C=C2c1ccccc1.
What is the InChIKey of propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate?
The InChIKey is CFDJIABFTLVTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-13(2)25-20(23)12-24-18-10-9-16-17(15-7-5-4-6-8-15)11-19(22)26-21(16)14(18)3/h4-11,13,19,22H,12H2,1-3H3.
What are the key properties of propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate?
propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate has a molecular weight of 354.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2-hydroxy-8-methyl-4-phenyl-2H-chromen-7-yl)oxy]acetate is sourced from PubChem (CID 23991653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).