2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one

C14H20O2 — CID 116747572

IUPAC2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccccc1C
InChIInChI=1S/C14H20O2/c1-5-14(6-2,16-4)13(15)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKeyJJRIEMLEMNEVIS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds5

About 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one

2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one (PubChem CID 116747572) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one
PubChem CID116747572
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccccc1C
InChIInChI=1S/C14H20O2/c1-5-14(6-2,16-4)13(15)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKeyJJRIEMLEMNEVIS-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethoxy-1-(2-methylphenyl)propan-1-one
CID 175032812
2-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)butan-1-one
CID 116747596
2,3-dihydroxy-2,3-bis(2-methylbenzoyl)butanedioic acid;(2R,3R)-2,3-dihydroxy-2,3-bis(2-methylbenzoyl)butanedioic acid
CID 175767043
(3-ethyloxiran-2-yl) 2-methylbenzoate
CID 174899248
2-bromo-2-ethylsulfonyl-1-(2-methylphenyl)propan-1-one
CID 102549894
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
(2S,3R)-2-ethyl-2,3,4-trihydroxy-1,5-bis(2-methylphenyl)pentane-1,5-dione
CID 154705250
bromo 2-methylbenzoate
CID 67185739
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
2,3-dihydroxy-2,3-bis(2-methylbenzoyl)butanedioyl dibromide
CID 23513441
2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-1,3-bis(2-methylphenyl)-2-(oxiran-2-ylmethyl)propane-1,3-dione
CID 175347135
1-(2-methylphenyl)butane-1,2-dione
CID 69199618

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one?
The IUPAC name of 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one (CID 116747572) is 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one?
The canonical SMILES for 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one is CCC(CC)(OC)C(=O)c1ccccc1C.
What is the InChIKey of 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one?
The InChIKey is JJRIEMLEMNEVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-14(6-2,16-4)13(15)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one?
2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one is sourced from PubChem (CID 116747572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).