4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one

C18H18O3 — CID 102513906

IUPAC4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one
SMILESCCOC1=CC(=O)OC(C)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H18O3/c1-3-20-16-11-17(19)21-18(2,12-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,3,12H2,1-2H3
InChIKeyQUYGQGAFCUXKEO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.92
Rot. Bonds3

About 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one

4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one (PubChem CID 102513906) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one.

Molecular Properties

Compound Name4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one
PubChem CID102513906
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one
SMILESCCOC1=CC(=O)OC(C)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H18O3/c1-3-20-16-11-17(19)21-18(2,12-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,3,12H2,1-2H3
InChIKeyQUYGQGAFCUXKEO-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one?
The IUPAC name of 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one (CID 102513906) is 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one.
What is the SMILES notation for 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one?
The canonical SMILES for 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one is CCOC1=CC(=O)OC(C)(c2ccc3ccccc3c2)C1.
What is the InChIKey of 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one?
The InChIKey is QUYGQGAFCUXKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-20-16-11-17(19)21-18(2,12-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one?
4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one has a molecular weight of 282.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one is sourced from PubChem (CID 102513906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).