3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid

C18H20O4 — CID 167844333

IUPAC3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
SMILESCOc1cc(C)ccc1-c1cc(CCC(=O)O)ccc1OC
InChIInChI=1S/C18H20O4/c1-12-4-7-14(17(10-12)22-3)15-11-13(6-9-18(19)20)5-8-16(15)21-2/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20)
InChIKeyYCMKXRYFDKZKNB-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.70
Rot. Bonds6

About 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid

3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid (PubChem CID 167844333) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
PubChem CID167844333
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
SMILESCOc1cc(C)ccc1-c1cc(CCC(=O)O)ccc1OC
InChIInChI=1S/C18H20O4/c1-12-4-7-14(17(10-12)22-3)15-11-13(6-9-18(19)20)5-8-16(15)21-2/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20)
InChIKeyYCMKXRYFDKZKNB-UHFFFAOYSA-N
XLogP3.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22559255
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3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
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CID 58149215
3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
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6-(3,4-dimethoxyphenyl)hexanoic acid
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3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid
CID 160639510
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82132984
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048
2-[3-[2-(benzylsulfinylmethyl)-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58460080
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CID 58148904

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid (CID 167844333) is 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid is COc1cc(C)ccc1-c1cc(CCC(=O)O)ccc1OC.
What is the InChIKey of 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid?
The InChIKey is YCMKXRYFDKZKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-12-4-7-14(17(10-12)22-3)15-11-13(6-9-18(19)20)5-8-16(15)21-2/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20).
What are the key properties of 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid?
3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 167844333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).