(2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one

C14H16O4 — CID 162674268

IUPAC(2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one
SMILESCCOc1ccccc1OC[C@H]1CC=CC(=O)O1
InChIInChI=1S/C14H16O4/c1-2-16-12-7-3-4-8-13(12)17-10-11-6-5-9-14(15)18-11/h3-5,7-9,11H,2,6,10H2,1H3/t11-/m1/s1
InChIKeySETASBGQNQNACI-LLVKDONJSA-N
MW248.28 g/mol
LogP2.34
Rot. Bonds5

About (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one

(2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one (PubChem CID 162674268) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one
PubChem CID162674268
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one
SMILESCCOc1ccccc1OC[C@H]1CC=CC(=O)O1
InChIInChI=1S/C14H16O4/c1-2-16-12-7-3-4-8-13(12)17-10-11-6-5-9-14(15)18-11/h3-5,7-9,11H,2,6,10H2,1H3/t11-/m1/s1
InChIKeySETASBGQNQNACI-LLVKDONJSA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one (CID 162674268) is (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one is CCOc1ccccc1OC[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one?
The InChIKey is SETASBGQNQNACI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16O4/c1-2-16-12-7-3-4-8-13(12)17-10-11-6-5-9-14(15)18-11/h3-5,7-9,11H,2,6,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one?
(2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one has a molecular weight of 248.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 162674268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).