1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one

C14H20O3 — CID 58822506

IUPAC1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
SMILESCCC(=O)C(C)COCc1ccc(OC)cc1
InChIInChI=1S/C14H20O3/c1-4-14(15)11(2)9-17-10-12-5-7-13(16-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyKNLQUQJCBOEJNU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.83
Rot. Bonds7

About 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one

1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one (PubChem CID 58822506) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
PubChem CID58822506
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
SMILESCCC(=O)C(C)COCc1ccc(OC)cc1
InChIInChI=1S/C14H20O3/c1-4-14(15)11(2)9-17-10-12-5-7-13(16-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyKNLQUQJCBOEJNU-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one
CID 155214623
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one
CID 24787730
5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
CID 58822522
(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
CID 101074120
bis[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] carbonate
CID 134305238
[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
CID 71726345
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
6-hydroxy-4-methyl-7-phenylmethoxyheptan-3-one
CID 79417620
(E,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-one
CID 10244454

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one?
The IUPAC name of 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one (CID 58822506) is 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one is CCC(=O)C(C)COCc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one?
The InChIKey is KNLQUQJCBOEJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-14(15)11(2)9-17-10-12-5-7-13(16-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one?
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one has a molecular weight of 236.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one is sourced from PubChem (CID 58822506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).