4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one

C15H22O3 — CID 103035398

IUPAC4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)(C)OC)cc1C
InChIInChI=1S/C15H22O3/c1-11-10-12(6-7-14(11)17-4)13(16)8-9-15(2,3)18-5/h6-7,10H,8-9H2,1-5H3
InChIKeyFGPVHZCPAKTINE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.39
Rot. Bonds6

About 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one

4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one (PubChem CID 103035398) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
PubChem CID103035398
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
SMILESCOc1ccc(C(=O)CCC(C)(C)OC)cc1C
InChIInChI=1S/C15H22O3/c1-11-10-12(6-7-14(11)17-4)13(16)8-9-15(2,3)18-5/h6-7,10H,8-9H2,1-5H3
InChIKeyFGPVHZCPAKTINE-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-bromo-1-(4-methoxy-3-methylphenyl)undecan-1-one
CID 102469746
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
1-(4-methoxy-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206599
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116920361
1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970106
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
butyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 62131722
(3-methoxy-3-methylbutyl) 3,4-dimethylbenzoate
CID 130399772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one?
The IUPAC name of 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one (CID 103035398) is 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one?
The canonical SMILES for 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one is COc1ccc(C(=O)CCC(C)(C)OC)cc1C.
What is the InChIKey of 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one?
The InChIKey is FGPVHZCPAKTINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-10-12(6-7-14(11)17-4)13(16)8-9-15(2,3)18-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one?
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 103035398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).