1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one

C14H20O2 — CID 82053774

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C14H20O2/c1-6-7-13(15)12-8-9(2)14(16-5)11(4)10(12)3/h8H,6-7H2,1-5H3
InChIKeyRDDAYYVDKPKVBQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one

1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one (PubChem CID 82053774) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
PubChem CID82053774
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C14H20O2/c1-6-7-13(15)12-8-9(2)14(16-5)11(4)10(12)3/h8H,6-7H2,1-5H3
InChIKeyRDDAYYVDKPKVBQ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82053775
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
CID 96675991
2-(4-methoxy-2,3,5-trimethylphenyl)-2-oxoacetic acid
CID 82286864
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
4-methoxy-N',2,3,5-tetramethylbenzohydrazide
CID 116846887
4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
CID 116916007
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
(4-methoxy-2,3,5-trimethylphenyl)-(oxiran-2-yl)methanone
CID 116826450
3-amino-1-(4-chloro-2-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117356323
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one (CID 82053774) is 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one is CCCC(=O)c1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one?
The InChIKey is RDDAYYVDKPKVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-7-13(15)12-8-9(2)14(16-5)11(4)10(12)3/h8H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one?
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one is sourced from PubChem (CID 82053774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).