6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one

C20H22O3 — CID 54720553

IUPAC6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
SMILESO=c1oc(CCC2CC2)cc(O)c1C(c1ccccc1)C1CC1
InChIInChI=1S/C20H22O3/c21-17-12-16(11-8-13-6-7-13)23-20(22)19(17)18(15-9-10-15)14-4-2-1-3-5-14/h1-5,12-13,15,18,21H,6-11H2
InChIKeyOWSLTCNINGIDEF-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.23
Rot. Bonds6

About 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one

6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one (PubChem CID 54720553) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
PubChem CID54720553
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
SMILESO=c1oc(CCC2CC2)cc(O)c1C(c1ccccc1)C1CC1
InChIInChI=1S/C20H22O3/c21-17-12-16(11-8-13-6-7-13)23-20(22)19(17)18(15-9-10-15)14-4-2-1-3-5-14/h1-5,12-13,15,18,21H,6-11H2
InChIKeyOWSLTCNINGIDEF-UHFFFAOYSA-N
XLogP4.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one?
The IUPAC name of 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one (CID 54720553) is 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one is O=c1oc(CCC2CC2)cc(O)c1C(c1ccccc1)C1CC1.
What is the InChIKey of 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one?
The InChIKey is OWSLTCNINGIDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c21-17-12-16(11-8-13-6-7-13)23-20(22)19(17)18(15-9-10-15)14-4-2-1-3-5-14/h1-5,12-13,15,18,21H,6-11H2.
What are the key properties of 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one?
6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one has a molecular weight of 310.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethyl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one is sourced from PubChem (CID 54720553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).