2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone

C21H24O3 — CID 157181032

IUPAC2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone
SMILESO=C(COC1CCCCO1)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C21H24O3/c22-20(16-24-21-11-4-5-14-23-21)19-10-6-9-18(15-19)13-12-17-7-2-1-3-8-17/h1-3,6-10,15,21H,4-5,11-14,16H2
InChIKeyKRWQVQAKGVNBEM-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.20
Rot. Bonds7

About 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone

2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone (PubChem CID 157181032) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone
PubChem CID157181032
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone
SMILESO=C(COC1CCCCO1)c1cccc(CCc2ccccc2)c1
InChIInChI=1S/C21H24O3/c22-20(16-24-21-11-4-5-14-23-21)19-10-6-9-18(15-19)13-12-17-7-2-1-3-8-17/h1-3,6-10,15,21H,4-5,11-14,16H2
InChIKeyKRWQVQAKGVNBEM-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
oxan-2-yl 3-phenylpropanoate
CID 10609743
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-phenylethyl oxane-2-carboxylate
CID 151584016
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone?
The IUPAC name of 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone (CID 157181032) is 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone.
What is the SMILES notation for 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone?
The canonical SMILES for 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone is O=C(COC1CCCCO1)c1cccc(CCc2ccccc2)c1.
What is the InChIKey of 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone?
The InChIKey is KRWQVQAKGVNBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c22-20(16-24-21-11-4-5-14-23-21)19-10-6-9-18(15-19)13-12-17-7-2-1-3-8-17/h1-3,6-10,15,21H,4-5,11-14,16H2.
What are the key properties of 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone?
2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone is sourced from PubChem (CID 157181032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).