6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one

C16H18O5 — CID 57400515

IUPAC6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one
SMILESCOc1cc(CCc2ccc(OC)c(OC)c2)oc(=O)c1
InChIInChI=1S/C16H18O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-10H,4,6H2,1-3H3
InChIKeyUACFBTNFAATILJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.45
Rot. Bonds6

About 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one

6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one (PubChem CID 57400515) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one
PubChem CID57400515
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one
SMILESCOc1cc(CCc2ccc(OC)c(OC)c2)oc(=O)c1
InChIInChI=1S/C16H18O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-10H,4,6H2,1-3H3
InChIKeyUACFBTNFAATILJ-UHFFFAOYSA-N
XLogP2.45
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
1-(3,5-dimethoxyphenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxyphenyl]ethane-1,2-dione
CID 172869648
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 94143746
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
CID 16638258
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one (CID 57400515) is 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one is COc1cc(CCc2ccc(OC)c(OC)c2)oc(=O)c1.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one?
The InChIKey is UACFBTNFAATILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one?
6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one has a molecular weight of 290.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxypyran-2-one is sourced from PubChem (CID 57400515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).