3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid

C24H23NO4 — CID 144688899

IUPAC3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
SMILESCOc1cc(-c2ccc(C3CCc4ccc(CCC(=O)O)cc4O3)cc2)ccn1
InChIInChI=1S/C24H23NO4/c1-28-23-15-20(12-13-25-23)17-5-7-18(8-6-17)21-10-9-19-4-2-16(3-11-24(26)27)14-22(19)29-21/h2,4-8,12-15,21H,3,9-11H2,1H3,(H,26,27)
InChIKeyIUEYZVQVLADJQE-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.84
Rot. Bonds6

About 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid

3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid (PubChem CID 144688899) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
PubChem CID144688899
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
SMILESCOc1cc(-c2ccc(C3CCc4ccc(CCC(=O)O)cc4O3)cc2)ccn1
InChIInChI=1S/C24H23NO4/c1-28-23-15-20(12-13-25-23)17-5-7-18(8-6-17)21-10-9-19-4-2-16(3-11-24(26)27)14-22(19)29-21/h2,4-8,12-15,21H,3,9-11H2,1H3,(H,26,27)
InChIKeyIUEYZVQVLADJQE-UHFFFAOYSA-N
XLogP4.84
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid?
The IUPAC name of 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid (CID 144688899) is 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid is COc1cc(-c2ccc(C3CCc4ccc(CCC(=O)O)cc4O3)cc2)ccn1.
What is the InChIKey of 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid?
The InChIKey is IUEYZVQVLADJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-23-15-20(12-13-25-23)17-5-7-18(8-6-17)21-10-9-19-4-2-16(3-11-24(26)27)14-22(19)29-21/h2,4-8,12-15,21H,3,9-11H2,1H3,(H,26,27).
What are the key properties of 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid?
3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid has a molecular weight of 389.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid is sourced from PubChem (CID 144688899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).