1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one

C14H20O3 — CID 115785481

IUPAC1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O3/c1-6-14(2,3)13(15)10-7-11(16-4)9-12(8-10)17-5/h7-9H,6H2,1-5H3
InChIKeyBMHPGGKWTYFZIH-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.32
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one

1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one (PubChem CID 115785481) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one
PubChem CID115785481
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O3/c1-6-14(2,3)13(15)10-7-11(16-4)9-12(8-10)17-5/h7-9H,6H2,1-5H3
InChIKeyBMHPGGKWTYFZIH-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008972
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
1-(3-tert-butyl-5-methoxyphenyl)propan-1-one
CID 147927308
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
3,5-dimethoxybenzoyl fluoride
CID 102051744
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
butan-2-yl 3,5-dimethoxybenzenecarboperoxoate
CID 173266268
3-methoxy-5-pentan-3-yloxybenzoic acid
CID 21061969
2-methoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746637
lithium 3,5-dimethoxybenzoate
CID 19205782

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one (CID 115785481) is 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one?
The InChIKey is BMHPGGKWTYFZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-6-14(2,3)13(15)10-7-11(16-4)9-12(8-10)17-5/h7-9H,6H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one?
1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 115785481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).