[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate

C19H20O5 — CID 139828190

IUPAC[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate
SMILESCCOc1ccc(C2CCc3ccc(O)cc3O2)c(OC(C)=O)c1
InChIInChI=1S/C19H20O5/c1-3-22-15-7-8-16(19(11-15)23-12(2)20)17-9-5-13-4-6-14(21)10-18(13)24-17/h4,6-8,10-11,17,21H,3,5,9H2,1-2H3
InChIKeySEIYEPMKWBDCFY-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.78
Rot. Bonds4

About [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate

[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate (PubChem CID 139828190) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate
PubChem CID139828190
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate
SMILESCCOc1ccc(C2CCc3ccc(O)cc3O2)c(OC(C)=O)c1
InChIInChI=1S/C19H20O5/c1-3-22-15-7-8-16(19(11-15)23-12(2)20)17-9-5-13-4-6-14(21)10-18(13)24-17/h4,6-8,10-11,17,21H,3,5,9H2,1-2H3
InChIKeySEIYEPMKWBDCFY-UHFFFAOYSA-N
XLogP3.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
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 [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate?
The IUPAC name of [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate (CID 139828190) is [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate.
What is the SMILES notation for [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate?
The canonical SMILES for [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate is CCOc1ccc(C2CCc3ccc(O)cc3O2)c(OC(C)=O)c1.
What is the InChIKey of [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate?
The InChIKey is SEIYEPMKWBDCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-22-15-7-8-16(19(11-15)23-12(2)20)17-9-5-13-4-6-14(21)10-18(13)24-17/h4,6-8,10-11,17,21H,3,5,9H2,1-2H3.
What are the key properties of [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate?
[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate has a molecular weight of 328.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate is sourced from PubChem (CID 139828190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).