4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one

C15H18O4 — CID 10084050

IUPAC4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CCc2ccc(OC)cc2)C1
InChIInChI=1S/C15H18O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,10,13H,5,8-9H2,1-2H3
InChIKeyIZGFAKZIDOQLHS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.47
Rot. Bonds5

About 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one

4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one (PubChem CID 10084050) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one
PubChem CID10084050
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(CCc2ccc(OC)cc2)C1
InChIInChI=1S/C15H18O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,10,13H,5,8-9H2,1-2H3
InChIKeyIZGFAKZIDOQLHS-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one?
The IUPAC name of 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one (CID 10084050) is 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one is COC1=CC(=O)OC(CCc2ccc(OC)cc2)C1.
What is the InChIKey of 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one?
The InChIKey is IZGFAKZIDOQLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,10,13H,5,8-9H2,1-2H3.
What are the key properties of 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one?
4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one has a molecular weight of 262.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 10084050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).