1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one

C14H20O2 — CID 103023156

IUPAC1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H20O2/c1-10-7-6-8-12(11(10)2)13(15)9-14(3,4)16-5/h6-8H,9H2,1-5H3
InChIKeyPDTDYGSRLSRQMN-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one

1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one (PubChem CID 103023156) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
PubChem CID103023156
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H20O2/c1-10-7-6-8-12(11(10)2)13(15)9-14(3,4)16-5/h6-8H,9H2,1-5H3
InChIKeyPDTDYGSRLSRQMN-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
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3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
CID 114970182
1-(2,3-dimethylphenyl)-3-hydroxybutan-1-one
CID 162516243
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
2-(3-methoxy-3-methylbutoxy)-3-methylbenzoic acid
CID 103032563
(3-methoxy-3-methylbutyl) 2-amino-3-methylbenzoate
CID 102978979
aminomethyl 2,3-dimethylbenzoate
CID 66871801
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-one
CID 103023430
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one (CID 103023156) is 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one is COC(C)(C)CC(=O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
The InChIKey is PDTDYGSRLSRQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-7-6-8-12(11(10)2)13(15)9-14(3,4)16-5/h6-8H,9H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one?
1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 103023156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).