1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid

C19H22O5 — CID 157331478

IUPAC1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)=O)cc1.COc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C10H12O3.C9H10O2/c1-7(10(11)12)8-3-5-9(13-2)6-4-8;1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,1-2H3,(H,11,12);3-6H,1-2H3
InChIKeyBFIILHSDKGDKOS-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid

1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid (PubChem CID 157331478) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
PubChem CID157331478
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)=O)cc1.COc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C10H12O3.C9H10O2/c1-7(10(11)12)8-3-5-9(13-2)6-4-8;1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,1-2H3,(H,11,12);3-6H,1-2H3
InChIKeyBFIILHSDKGDKOS-UHFFFAOYSA-N
XLogP3.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
CID 173455437
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
2-(4-phenoxyphenyl)propanoic acid
CID 527817
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
2-[4-(methoxymethoxy)phenyl]propanoic acid
CID 117046311

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid (CID 157331478) is 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid is COc1ccc(C(C)=O)cc1.COc1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid?
The InChIKey is BFIILHSDKGDKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C9H10O2/c1-7(10(11)12)8-3-5-9(13-2)6-4-8;1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,1-2H3,(H,11,12);3-6H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid?
1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 157331478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).