1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone

C17H19NO3 — CID 117052429

IUPAC1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OC(C)(C)c1ccccn1
InChIInChI=1S/C17H19NO3/c1-12(19)13-8-7-9-14(20-4)16(13)21-17(2,3)15-10-5-6-11-18-15/h5-11H,1-4H3
InChIKeyQCZYFQLJAMMTMU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.61
Rot. Bonds5

About 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone

1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone (PubChem CID 117052429) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone
PubChem CID117052429
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OC(C)(C)c1ccccn1
InChIInChI=1S/C17H19NO3/c1-12(19)13-8-7-9-14(20-4)16(13)21-17(2,3)15-10-5-6-11-18-15/h5-11H,1-4H3
InChIKeyQCZYFQLJAMMTMU-UHFFFAOYSA-N
XLogP3.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone
CID 117052428
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369
3-methoxy-4-(2-pyridin-2-ylpropan-2-yloxy)benzoic acid
CID 117053458
N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide
CID 166386917
2-(2-pyridin-2-ylpropan-2-yloxy)aniline
CID 117095525
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
CID 91789954
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone (CID 117052429) is 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone is COc1cccc(C(C)=O)c1OC(C)(C)c1ccccn1.
What is the InChIKey of 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone?
The InChIKey is QCZYFQLJAMMTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(19)13-8-7-9-14(20-4)16(13)21-17(2,3)15-10-5-6-11-18-15/h5-11H,1-4H3.
What are the key properties of 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone?
1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone has a molecular weight of 285.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone is sourced from PubChem (CID 117052429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).