4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid

C19H20O5 — CID 165348046

IUPAC4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid
SMILESCOc1ccc(C(CC(=O)c2ccc(OC)c(C)c2)C(=O)O)cc1
InChIInChI=1S/C19H20O5/c1-12-10-14(6-9-18(12)24-3)17(20)11-16(19(21)22)13-4-7-15(23-2)8-5-13/h4-10,16H,11H2,1-3H3,(H,21,22)
InChIKeyHZRWXCIDEMWIIG-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.45
Rot. Bonds7

About 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid

4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid (PubChem CID 165348046) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid
PubChem CID165348046
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid
SMILESCOc1ccc(C(CC(=O)c2ccc(OC)c(C)c2)C(=O)O)cc1
InChIInChI=1S/C19H20O5/c1-12-10-14(6-9-18(12)24-3)17(20)11-16(19(21)22)13-4-7-15(23-2)8-5-13/h4-10,16H,11H2,1-3H3,(H,21,22)
InChIKeyHZRWXCIDEMWIIG-UHFFFAOYSA-N
XLogP3.45
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methoxyphenyl)butan-1-one
CID 58534870
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
4-[2-carboxy-2-(4-methoxy-3-methylphenyl)ethyl]benzoic acid
CID 83955750
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid (CID 165348046) is 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid is COc1ccc(C(CC(=O)c2ccc(OC)c(C)c2)C(=O)O)cc1.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid?
The InChIKey is HZRWXCIDEMWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-12-10-14(6-9-18(12)24-3)17(20)11-16(19(21)22)13-4-7-15(23-2)8-5-13/h4-10,16H,11H2,1-3H3,(H,21,22).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid?
4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-2-(4-methoxyphenyl)-4-oxobutanoic acid is sourced from PubChem (CID 165348046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).