(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate

C14H16O4 — CID 10562502

IUPAC(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate
SMILESCCOC1CCC=C(OC(=O)c2ccccc2)O1
InChIInChI=1S/C14H16O4/c1-2-16-12-9-6-10-13(17-12)18-14(15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3
InChIKeyKBUAVSGTFSXEPT-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.86
Rot. Bonds4

About (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate

(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate (PubChem CID 10562502) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate.

Molecular Properties

Compound Name(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate
PubChem CID10562502
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate
SMILESCCOC1CCC=C(OC(=O)c2ccccc2)O1
InChIInChI=1S/C14H16O4/c1-2-16-12-9-6-10-13(17-12)18-14(15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3
InChIKeyKBUAVSGTFSXEPT-UHFFFAOYSA-N
XLogP2.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
CID 11043047
(5-ethoxyoxolan-3-yl)methyl benzoate
CID 11149370
[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone
CID 10854362
[(2S,5R)-5-ethoxy-1,3-oxathiolan-2-yl]methyl benzoate
CID 11161502
(4,5-diethoxy-3-hydroxyoxolan-2-yl)methyl benzoate
CID 59855677
[(2S,3S,5R)-3-(diethoxyphosphorylmethyl)-5-ethoxyoxolan-2-yl]methyl benzoate
CID 15835070
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 10588393
2-ethoxy-8-methyl-3,4-dihydro-2H-chromene
CID 15012842
ethyl benzoate;toluene
CID 23150750
(2S)-2-ethoxy-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
CID 101107998
cyclopropyloxymethyl benzoate
CID 150112957
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate?
The IUPAC name of (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate (CID 10562502) is (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate.
What is the SMILES notation for (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate?
The canonical SMILES for (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate is CCOC1CCC=C(OC(=O)c2ccccc2)O1.
What is the InChIKey of (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate?
The InChIKey is KBUAVSGTFSXEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-2-16-12-9-6-10-13(17-12)18-14(15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3.
What are the key properties of (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate?
(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate has a molecular weight of 248.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate is sourced from PubChem (CID 10562502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).