1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one

C16H22O4 — CID 43798905

IUPAC1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
SMILESCOc1ccc(C(=O)C(C)OCC2CCCCO2)cc1
InChIInChI=1S/C16H22O4/c1-12(20-11-15-5-3-4-10-19-15)16(17)13-6-8-14(18-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyDQARWLIAUUOOIK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.85
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one

1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one (PubChem CID 43798905) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
PubChem CID43798905
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
SMILESCOc1ccc(C(=O)C(C)OCC2CCCCO2)cc1
InChIInChI=1S/C16H22O4/c1-12(20-11-15-5-3-4-10-19-15)16(17)13-6-8-14(18-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeyDQARWLIAUUOOIK-UHFFFAOYSA-N
XLogP2.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 43798313
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
[(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate
CID 124731148
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184286
methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
CID 79084595
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one (CID 43798905) is 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one is COc1ccc(C(=O)C(C)OCC2CCCCO2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
The InChIKey is DQARWLIAUUOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-12(20-11-15-5-3-4-10-19-15)16(17)13-6-8-14(18-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 43798905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).