2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid

C17H18O4 — CID 174903063

IUPAC2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid
SMILESCOc1cccc(-c2ccccc2)c1CC(OC)C(=O)O
InChIInChI=1S/C17H18O4/c1-20-15-10-6-9-13(12-7-4-3-5-8-12)14(15)11-16(21-2)17(18)19/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyVRMRSRLGEXBRBT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.00
Rot. Bonds6

About 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid

2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid (PubChem CID 174903063) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid
PubChem CID174903063
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid
SMILESCOc1cccc(-c2ccccc2)c1CC(OC)C(=O)O
InChIInChI=1S/C17H18O4/c1-20-15-10-6-9-13(12-7-4-3-5-8-12)14(15)11-16(21-2)17(18)19/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyVRMRSRLGEXBRBT-UHFFFAOYSA-N
XLogP3.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid?
The IUPAC name of 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid (CID 174903063) is 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid?
The canonical SMILES for 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid is COc1cccc(-c2ccccc2)c1CC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid?
The InChIKey is VRMRSRLGEXBRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-15-10-6-9-13(12-7-4-3-5-8-12)14(15)11-16(21-2)17(18)19/h3-10,16H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid?
2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxy-6-phenylphenyl)propanoic acid is sourced from PubChem (CID 174903063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).