3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid

C24H22NO3+ — CID 20784375

IUPAC3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid
SMILESC[C+](Cc1ccc(OCN2c3ccccc3Cc3ccccc32)cc1)C(=O)O
InChIInChI=1S/C24H21NO3/c1-17(24(26)27)14-18-10-12-21(13-11-18)28-16-25-22-8-4-2-6-19(22)15-20-7-3-5-9-23(20)25/h2-13H,14-16H2,1H3/p+1
InChIKeyXQQYIZRUYAHEKD-UHFFFAOYSA-O
MW372.44 g/mol
LogP4.99
Rot. Bonds6

About 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid

3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid (PubChem CID 20784375) has the molecular formula C24H22NO3+ and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid
PubChem CID20784375
Molecular FormulaC24H22NO3+
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid
SMILESC[C+](Cc1ccc(OCN2c3ccccc3Cc3ccccc32)cc1)C(=O)O
InChIInChI=1S/C24H21NO3/c1-17(24(26)27)14-18-10-12-21(13-11-18)28-16-25-22-8-4-2-6-19(22)15-20-7-3-5-9-23(20)25/h2-13H,14-16H2,1H3/p+1
InChIKeyXQQYIZRUYAHEKD-UHFFFAOYSA-O
XLogP4.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid (CID 20784375) is 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid is C[C+](Cc1ccc(OCN2c3ccccc3Cc3ccccc32)cc1)C(=O)O.
What is the InChIKey of 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid?
The InChIKey is XQQYIZRUYAHEKD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H21NO3/c1-17(24(26)27)14-18-10-12-21(13-11-18)28-16-25-22-8-4-2-6-19(22)15-20-7-3-5-9-23(20)25/h2-13H,14-16H2,1H3/p+1.
What are the key properties of 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid?
3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid has a molecular weight of 372.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9H-acridin-10-ylmethoxy)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 20784375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).