[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone

C22H24O3 — CID 10854362

IUPAC[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone
SMILESCCOC1CCC(C(=O)c2ccccc2)=C(CCc2ccccc2)O1
InChIInChI=1S/C22H24O3/c1-2-24-21-16-14-19(22(23)18-11-7-4-8-12-18)20(25-21)15-13-17-9-5-3-6-10-17/h3-12,21H,2,13-16H2,1H3
InChIKeyLDKQAACQBFTZEB-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.93
Rot. Bonds7

About [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone

[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone (PubChem CID 10854362) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone
PubChem CID10854362
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone
SMILESCCOC1CCC(C(=O)c2ccccc2)=C(CCc2ccccc2)O1
InChIInChI=1S/C22H24O3/c1-2-24-21-16-14-19(22(23)18-11-7-4-8-12-18)20(25-21)15-13-17-9-5-3-6-10-17/h3-12,21H,2,13-16H2,1H3
InChIKeyLDKQAACQBFTZEB-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
CID 11043047
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 10588393
(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate
CID 10562502
(2S)-2-ethoxy-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
CID 101107998
(5-ethoxyoxolan-3-yl)methyl benzoate
CID 11149370
bromomethylbenzene;diphenylmethanone
CID 159613438
ethyl 2-benzoylcyclopropene-1-carboxylate
CID 102131953
5-phenylmethoxyoxolan-2-one
CID 67674906
2-ethoxy-8-methyl-3,4-dihydro-2H-chromene
CID 15012842
diphenylmethanone;ethane
CID 158014879
benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
CID 157064621
ethyl 2-amino-3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
CID 18182175

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone?
The IUPAC name of [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone (CID 10854362) is [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone.
What is the SMILES notation for [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone?
The canonical SMILES for [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone is CCOC1CCC(C(=O)c2ccccc2)=C(CCc2ccccc2)O1.
What is the InChIKey of [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone?
The InChIKey is LDKQAACQBFTZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-2-24-21-16-14-19(22(23)18-11-7-4-8-12-18)20(25-21)15-13-17-9-5-3-6-10-17/h3-12,21H,2,13-16H2,1H3.
What are the key properties of [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone?
[2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone has a molecular weight of 336.43 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-6-(2-phenylethyl)-3,4-dihydro-2H-pyran-5-yl]-phenylmethanone is sourced from PubChem (CID 10854362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).