1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one

C14H20O3 — CID 63986983

IUPAC1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
SMILESCOCc1cccc(OCC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-14(2,3)13(15)10-17-12-7-5-6-11(8-12)9-16-4/h5-8H,9-10H2,1-4H3
InChIKeyGCNBVKHRKXINGX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.83
Rot. Bonds5

About 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one

1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one (PubChem CID 63986983) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
PubChem CID63986983
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
SMILESCOCc1cccc(OCC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-14(2,3)13(15)10-17-12-7-5-6-11(8-12)9-16-4/h5-8H,9-10H2,1-4H3
InChIKeyGCNBVKHRKXINGX-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103067274
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
CID 63986786
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate
CID 77075114
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626
1-(3-bromo-2,2-dimethylpropoxy)-3-(methoxymethyl)benzene
CID 65000197
6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
CID 63985201

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one (CID 63986983) is 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one is COCc1cccc(OCC(=O)C(C)(C)C)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one?
The InChIKey is GCNBVKHRKXINGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2,3)13(15)10-17-12-7-5-6-11(8-12)9-16-4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one?
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 63986983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).