4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one

C15H22O3 — CID 113438517

IUPAC4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
SMILESCOCCOc1ccccc1C(C)(C)CC(C)=O
InChIInChI=1S/C15H22O3/c1-12(16)11-15(2,3)13-7-5-6-8-14(13)18-10-9-17-4/h5-8H,9-11H2,1-4H3
InChIKeySNABIGZSGLNUPR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.97
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one

4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one (PubChem CID 113438517) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
PubChem CID113438517
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
SMILESCOCCOc1ccccc1C(C)(C)CC(C)=O
InChIInChI=1S/C15H22O3/c1-12(16)11-15(2,3)13-7-5-6-8-14(13)18-10-9-17-4/h5-8H,9-11H2,1-4H3
InChIKeySNABIGZSGLNUPR-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
CID 104658806
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
5-(2-tert-butylphenoxy)pentan-2-one
CID 43793545
[2-(2-methyl-4-oxo-4-sulfanylbutan-2-yl)phenyl] phosphate
CID 145166409
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077742
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
3-(2-acetyloxyphenyl)-3-methylbutanethioate
CID 140866918

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one?
The IUPAC name of 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one (CID 113438517) is 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one?
The canonical SMILES for 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one is COCCOc1ccccc1C(C)(C)CC(C)=O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one?
The InChIKey is SNABIGZSGLNUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-12(16)11-15(2,3)13-7-5-6-8-14(13)18-10-9-17-4/h5-8H,9-11H2,1-4H3.
What are the key properties of 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one?
4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one is sourced from PubChem (CID 113438517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).