1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one

C14H20O4 — CID 105134620

IUPAC1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
SMILESCOc1cccc(OC)c1C(=O)CCC(C)OC
InChIInChI=1S/C14H20O4/c1-10(16-2)8-9-11(15)14-12(17-3)6-5-7-13(14)18-4/h5-7,10H,8-9H2,1-4H3
InChIKeyHYMDQAUKAGGGIZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one

1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one (PubChem CID 105134620) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
PubChem CID105134620
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
SMILESCOc1cccc(OC)c1C(=O)CCC(C)OC
InChIInChI=1S/C14H20O4/c1-10(16-2)8-9-11(15)14-12(17-3)6-5-7-13(14)18-4/h5-7,10H,8-9H2,1-4H3
InChIKeyHYMDQAUKAGGGIZ-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
3-methoxybutyl 2,6-dimethoxybenzenecarboperoxoate
CID 173267382
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
4-methoxy-1-naphthalen-1-ylpentan-1-one
CID 105094486
(2S,3S)-1-(2,6-dimethoxyphenyl)-3-hydroxy-2-methylbutan-1-one
CID 102019504
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586
CID 159993809
CID 159993809
1,7-bis(2,6-dimethoxyphenyl)-3,5,5-trimethyl-2-phosphanylheptane-1,7-dione
CID 174920607
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-[(4-methoxypentanoylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533146
3-bromo-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-one
CID 134625176

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one (CID 105134620) is 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one is COc1cccc(OC)c1C(=O)CCC(C)OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one?
The InChIKey is HYMDQAUKAGGGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(16-2)8-9-11(15)14-12(17-3)6-5-7-13(14)18-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one?
1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one has a molecular weight of 252.31 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one is sourced from PubChem (CID 105134620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).