(3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate

C20H22O5 — CID 163553333

IUPAC(3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
SMILESCCOC1Cc2cc(OC(C)=O)c(OC)cc2OC1c1ccccc1
InChIInChI=1S/C20H22O5/c1-4-23-19-11-15-10-18(24-13(2)21)17(22-3)12-16(15)25-20(19)14-8-6-5-7-9-14/h5-10,12,19-20H,4,11H2,1-3H3
InChIKeyFKYDHFWBQWOTFZ-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.70
Rot. Bonds5

About (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate

(3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate (PubChem CID 163553333) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate.

Molecular Properties

Compound Name(3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
PubChem CID163553333
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
SMILESCCOC1Cc2cc(OC(C)=O)c(OC)cc2OC1c1ccccc1
InChIInChI=1S/C20H22O5/c1-4-23-19-11-15-10-18(24-13(2)21)17(22-3)12-16(15)25-20(19)14-8-6-5-7-9-14/h5-10,12,19-20H,4,11H2,1-3H3
InChIKeyFKYDHFWBQWOTFZ-UHFFFAOYSA-N
XLogP3.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
The IUPAC name of (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate (CID 163553333) is (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate.
What is the SMILES notation for (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
The canonical SMILES for (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate is CCOC1Cc2cc(OC(C)=O)c(OC)cc2OC1c1ccccc1.
What is the InChIKey of (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
The InChIKey is FKYDHFWBQWOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-4-23-19-11-15-10-18(24-13(2)21)17(22-3)12-16(15)25-20(19)14-8-6-5-7-9-14/h5-10,12,19-20H,4,11H2,1-3H3.
What are the key properties of (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate?
(3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate has a molecular weight of 342.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate is sourced from PubChem (CID 163553333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).