(2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one

C14H16O3 — CID 162666054

IUPAC(2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one
SMILESCCc1ccc(OC[C@H]2CC=CC(=O)O2)cc1
InChIInChI=1S/C14H16O3/c1-2-11-6-8-12(9-7-11)16-10-13-4-3-5-14(15)17-13/h3,5-9,13H,2,4,10H2,1H3/t13-/m1/s1
InChIKeyYKOOKTMVGRGAGB-CYBMUJFWSA-N
MW232.28 g/mol
LogP2.50
Rot. Bonds4

About (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one

(2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one (PubChem CID 162666054) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one
PubChem CID162666054
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one
SMILESCCc1ccc(OC[C@H]2CC=CC(=O)O2)cc1
InChIInChI=1S/C14H16O3/c1-2-11-6-8-12(9-7-11)16-10-13-4-3-5-14(15)17-13/h3,5-9,13H,2,4,10H2,1H3/t13-/m1/s1
InChIKeyYKOOKTMVGRGAGB-CYBMUJFWSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
bis(1,4-diethylbenzene);tris(2-(phenoxymethyl)oxirane)
CID 158955106
(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one
CID 162665182
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(2-(phenoxymethyl)oxirane)
CID 161223554
2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
CID 56668686
anisole;bis(1,4-diethylbenzene);ethane;2-(phenoxymethyl)oxirane
CID 157404287
4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one
CID 58067944
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one (CID 162666054) is (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one is CCc1ccc(OC[C@H]2CC=CC(=O)O2)cc1.
What is the InChIKey of (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one?
The InChIKey is YKOOKTMVGRGAGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-11-6-8-12(9-7-11)16-10-13-4-3-5-14(15)17-13/h3,5-9,13H,2,4,10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one?
(2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one has a molecular weight of 232.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethylphenoxy)methyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 162666054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).