1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone

C16H20N2O3 — CID 117052428

IUPAC1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OC(C)(C)c1nccn1C
InChIInChI=1S/C16H20N2O3/c1-11(19)12-7-6-8-13(20-5)14(12)21-16(2,3)15-17-9-10-18(15)4/h6-10H,1-5H3
InChIKeyYOLIOKBAXUZJPM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone

1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone (PubChem CID 117052428) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone
PubChem CID117052428
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OC(C)(C)c1nccn1C
InChIInChI=1S/C16H20N2O3/c1-11(19)12-7-6-8-13(20-5)14(12)21-16(2,3)15-17-9-10-18(15)4/h6-10H,1-5H3
InChIKeyYOLIOKBAXUZJPM-UHFFFAOYSA-N
XLogP2.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone
CID 117052429
[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine
CID 117052076
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)butanamide
CID 51930496
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide
CID 16674232
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone
CID 117052386
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone (CID 117052428) is 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone is COc1cccc(C(C)=O)c1OC(C)(C)c1nccn1C.
What is the InChIKey of 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone?
The InChIKey is YOLIOKBAXUZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(19)12-7-6-8-13(20-5)14(12)21-16(2,3)15-17-9-10-18(15)4/h6-10H,1-5H3.
What are the key properties of 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone?
1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone is sourced from PubChem (CID 117052428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).