1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone

C14H18O4 — CID 82001609

IUPAC1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OC2CCOCC2)c1
InChIInChI=1S/C14H18O4/c1-10(15)13-4-3-12(16-2)9-14(13)18-11-5-7-17-8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyQAHOBXAKRSJXLM-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.46
Rot. Bonds4

About 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone

1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone (PubChem CID 82001609) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
PubChem CID82001609
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OC2CCOCC2)c1
InChIInChI=1S/C14H18O4/c1-10(15)13-4-3-12(16-2)9-14(13)18-11-5-7-17-8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyQAHOBXAKRSJXLM-UHFFFAOYSA-N
XLogP2.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81302635
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate
CID 124504616
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
4-[2-(bromomethyl)-4-methoxyphenoxy]oxane
CID 63937253
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
1-[5-chloro-2-methyl-3-(oxan-4-yloxy)phenyl]ethanone
CID 90278061
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone (CID 82001609) is 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone is COc1ccc(C(C)=O)c(OC2CCOCC2)c1.
What is the InChIKey of 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone?
The InChIKey is QAHOBXAKRSJXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10(15)13-4-3-12(16-2)9-14(13)18-11-5-7-17-8-6-11/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone?
1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone has a molecular weight of 250.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone is sourced from PubChem (CID 82001609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).