2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid

C15H18O3 — CID 19356670

IUPAC2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid
SMILESCOC1(C)C=CC2=CC(C)=C(C(C)C(=O)O)C2=C1
InChIInChI=1S/C15H18O3/c1-9-7-11-5-6-15(3,18-4)8-12(11)13(9)10(2)14(16)17/h5-8,10H,1-4H3,(H,16,17)
InChIKeyYBIZSPJKPWGEIC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.86
Rot. Bonds3

About 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid

2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid (PubChem CID 19356670) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid
PubChem CID19356670
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid
SMILESCOC1(C)C=CC2=CC(C)=C(C(C)C(=O)O)C2=C1
InChIInChI=1S/C15H18O3/c1-9-7-11-5-6-15(3,18-4)8-12(11)13(9)10(2)14(16)17/h5-8,10H,1-4H3,(H,16,17)
InChIKeyYBIZSPJKPWGEIC-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid?
The IUPAC name of 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid (CID 19356670) is 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid?
The canonical SMILES for 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid is COC1(C)C=CC2=CC(C)=C(C(C)C(=O)O)C2=C1.
What is the InChIKey of 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid?
The InChIKey is YBIZSPJKPWGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-9-7-11-5-6-15(3,18-4)8-12(11)13(9)10(2)14(16)17/h5-8,10H,1-4H3,(H,16,17).
What are the key properties of 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid?
2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,6-dimethylinden-1-yl)propanoic acid is sourced from PubChem (CID 19356670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).