1-(oxan-3-yl)-2-phenylmethoxyethanone

C14H18O3 — CID 131141063

IUPAC1-(oxan-3-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)C1CCCOC1
InChIInChI=1S/C14H18O3/c15-14(13-7-4-8-16-10-13)11-17-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyJFWJFAGOUIWGLR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.20
Rot. Bonds5

About 1-(oxan-3-yl)-2-phenylmethoxyethanone

1-(oxan-3-yl)-2-phenylmethoxyethanone (PubChem CID 131141063) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-phenylmethoxyethanone
PubChem CID131141063
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(oxan-3-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)C1CCCOC1
InChIInChI=1S/C14H18O3/c15-14(13-7-4-8-16-10-13)11-17-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyJFWJFAGOUIWGLR-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(oxan-3-yl)-2-phenylmethoxyethanone (CID 131141063) is 1-(oxan-3-yl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(oxan-3-yl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(oxan-3-yl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-phenylmethoxyethanone?
The InChIKey is JFWJFAGOUIWGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-14(13-7-4-8-16-10-13)11-17-9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 1-(oxan-3-yl)-2-phenylmethoxyethanone?
1-(oxan-3-yl)-2-phenylmethoxyethanone has a molecular weight of 234.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-phenylmethoxyethanone is sourced from PubChem (CID 131141063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).