2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one

C15H22O3 — CID 116708411

IUPAC2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(OC)C(C)C
InChIInChI=1S/C15H22O3/c1-5-10-18-13-9-7-6-8-12(13)14(16)15(17-4)11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeySAEKSJHGPCAONT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.33
Rot. Bonds7

About 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one

2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one (PubChem CID 116708411) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
PubChem CID116708411
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(OC)C(C)C
InChIInChI=1S/C15H22O3/c1-5-10-18-13-9-7-6-8-12(13)14(16)15(17-4)11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeySAEKSJHGPCAONT-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
CID 103458373
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
N-butan-2-yl-2-propoxybenzamide
CID 71581291
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659280
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2,2-dimethylpropanoyl 2-propoxybenzoate
CID 174763855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one?
The IUPAC name of 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one (CID 116708411) is 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one.
What is the SMILES notation for 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one?
The canonical SMILES for 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one is CCCOc1ccccc1C(=O)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one?
The InChIKey is SAEKSJHGPCAONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-10-18-13-9-7-6-8-12(13)14(16)15(17-4)11(2)3/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one?
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one is sourced from PubChem (CID 116708411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).