1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one

C15H20O4 — CID 117415306

IUPAC1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
SMILESCOc1ccc(CC(C)=O)cc1OC1CCCOC1
InChIInChI=1S/C15H20O4/c1-11(16)8-12-5-6-14(17-2)15(9-12)19-13-4-3-7-18-10-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyZYYLWBHGKKVTCE-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.38
Rot. Bonds5

About 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one

1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one (PubChem CID 117415306) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
PubChem CID117415306
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
SMILESCOc1ccc(CC(C)=O)cc1OC1CCCOC1
InChIInChI=1S/C15H20O4/c1-11(16)8-12-5-6-14(17-2)15(9-12)19-13-4-3-7-18-10-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyZYYLWBHGKKVTCE-UHFFFAOYSA-N
XLogP2.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
3-[5-(isocyanatomethyl)-2-methoxyphenoxy]oxane
CID 117412381
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]propan-2-one
CID 115005223
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
CID 107135061

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one?
The IUPAC name of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one (CID 117415306) is 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one?
The canonical SMILES for 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one is COc1ccc(CC(C)=O)cc1OC1CCCOC1.
What is the InChIKey of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one?
The InChIKey is ZYYLWBHGKKVTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(16)8-12-5-6-14(17-2)15(9-12)19-13-4-3-7-18-10-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one?
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one is sourced from PubChem (CID 117415306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).