1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one

C15H22O3 — CID 115795487

IUPAC1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
SMILESCOc1ccc(OC)c(C(=O)CCCC(C)C)c1
InChIInChI=1S/C15H22O3/c1-11(2)6-5-7-14(16)13-10-12(17-3)8-9-15(13)18-4/h8-11H,5-7H2,1-4H3
InChIKeyDYTVOQMFAJZTDY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.71
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one

1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one (PubChem CID 115795487) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
PubChem CID115795487
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
SMILESCOc1ccc(OC)c(C(=O)CCCC(C)C)c1
InChIInChI=1S/C15H22O3/c1-11(2)6-5-7-14(16)13-10-12(17-3)8-9-15(13)18-4/h8-11H,5-7H2,1-4H3
InChIKeyDYTVOQMFAJZTDY-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
CID 70041189
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 60625228
3-(2,5-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698323
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 116610213
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82553026
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one (CID 115795487) is 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one is COc1ccc(OC)c(C(=O)CCCC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one?
The InChIKey is DYTVOQMFAJZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)6-5-7-14(16)13-10-12(17-3)8-9-15(13)18-4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one?
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one is sourced from PubChem (CID 115795487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).