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

C14H20O4 — CID 83226336

IUPAC1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one
SMILESCCCC(=O)C(OC)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20O4/c1-5-6-12(15)14(18-4)11-8-7-10(16-2)9-13(11)17-3/h7-9,14H,5-6H2,1-4H3
InChIKeyLAKJVCRFHUUYOC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.76
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one (PubChem CID 83226336) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one
PubChem CID83226336
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one
SMILESCCCC(=O)C(OC)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20O4/c1-5-6-12(15)14(18-4)11-8-7-10(16-2)9-13(11)17-3/h7-9,14H,5-6H2,1-4H3
InChIKeyLAKJVCRFHUUYOC-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one (CID 83226336) is 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one is CCCC(=O)C(OC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one?
The InChIKey is LAKJVCRFHUUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-6-12(15)14(18-4)11-8-7-10(16-2)9-13(11)17-3/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one?
1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one has a molecular weight of 252.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one is sourced from PubChem (CID 83226336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).