4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one

C15H22O5 — CID 88733446

IUPAC4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one
SMILESCOc1c(C)c(CCC(C)=O)c(OC)c(OC)c1OC
InChIInChI=1S/C15H22O5/c1-9(16)7-8-11-10(2)12(17-3)14(19-5)15(20-6)13(11)18-4/h7-8H2,1-6H3
InChIKeyFZGBEXDASLLSJK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.55
Rot. Bonds7

About 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one

4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one (PubChem CID 88733446) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one
PubChem CID88733446
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one
SMILESCOc1c(C)c(CCC(C)=O)c(OC)c(OC)c1OC
InChIInChI=1S/C15H22O5/c1-9(16)7-8-11-10(2)12(17-3)14(19-5)15(20-6)13(11)18-4/h7-8H2,1-6H3
InChIKeyFZGBEXDASLLSJK-UHFFFAOYSA-N
XLogP2.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
4-(2-bromo-5-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 11572987
methyl 2,4-dimethoxy-3,6-dimethyl-5-(3-oxobutyl)benzoate
CID 11119951
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
4-(2,3,5,6-tetrabromo-4-methoxyphenyl)butan-2-one
CID 15890570
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
CID 15837165
4-(2-benzylselanyl-5-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 11574621
3-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)propanoic acid
CID 117393987
1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-one
CID 117485028
1-(12-iodododecyl)-2,3,4,5-tetramethoxy-6-methylbenzene
CID 11398033
[(Z)-5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methylpent-2-enyl] acetate
CID 86745749
4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one?
The IUPAC name of 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one (CID 88733446) is 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one?
The canonical SMILES for 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one is COc1c(C)c(CCC(C)=O)c(OC)c(OC)c1OC.
What is the InChIKey of 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one?
The InChIKey is FZGBEXDASLLSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9(16)7-8-11-10(2)12(17-3)14(19-5)15(20-6)13(11)18-4/h7-8H2,1-6H3.
What are the key properties of 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one?
4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetramethoxy-6-methylphenyl)butan-2-one is sourced from PubChem (CID 88733446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).