3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid

C13H18O4 — CID 82265548

IUPAC3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1ccc(OC(C)C)cc1CCC(=O)O
InChIInChI=1S/C13H18O4/c1-9(2)17-11-5-6-12(16-3)10(8-11)4-7-13(14)15/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)
InChIKeyLEOVBFMSGHTXHN-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.50
Rot. Bonds6

About 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid

3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid (PubChem CID 82265548) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
PubChem CID82265548
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1ccc(OC(C)C)cc1CCC(=O)O
InChIInChI=1S/C13H18O4/c1-9(2)17-11-5-6-12(16-3)10(8-11)4-7-13(14)15/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)
InChIKeyLEOVBFMSGHTXHN-UHFFFAOYSA-N
XLogP2.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
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N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
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3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
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3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
CID 154180149
3-[6-methoxy-2-(4-propan-2-yloxyanilino)-3H-benzimidazol-5-yl]propanoic acid
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3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704416
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]propanoic acid
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3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
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CID 64503606

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid (CID 82265548) is 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid is COc1ccc(OC(C)C)cc1CCC(=O)O.
What is the InChIKey of 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is LEOVBFMSGHTXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(2)17-11-5-6-12(16-3)10(8-11)4-7-13(14)15/h5-6,8-9H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 82265548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).