3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid

C17H19NO4 — CID 167895239

IUPAC3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid
SMILESCCCOc1c(OC)cc(C(=O)O)cc1-c1ccnc(C)c1
InChIInChI=1S/C17H19NO4/c1-4-7-22-16-14(12-5-6-18-11(2)8-12)9-13(17(19)20)10-15(16)21-3/h5-6,8-10H,4,7H2,1-3H3,(H,19,20)
InChIKeyADLGYBCNJVZRFB-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.55
Rot. Bonds6

About 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid

3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid (PubChem CID 167895239) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid.

Molecular Properties

Compound Name3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid
PubChem CID167895239
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid
SMILESCCCOc1c(OC)cc(C(=O)O)cc1-c1ccnc(C)c1
InChIInChI=1S/C17H19NO4/c1-4-7-22-16-14(12-5-6-18-11(2)8-12)9-13(17(19)20)10-15(16)21-3/h5-6,8-10H,4,7H2,1-3H3,(H,19,20)
InChIKeyADLGYBCNJVZRFB-UHFFFAOYSA-N
XLogP3.55
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid
CID 166242273
3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid
CID 16768846
3-(3,4-dichlorophenyl)-4-ethoxy-5-methoxybenzoic acid
CID 16768705
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 167904888
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid
CID 136886171
4-(2-ethylsulfonylethoxy)-3,5-dimethoxybenzoic acid
CID 43807853
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
4-[4-(2-iodoethoxy)-3-methylphenyl]-3-propoxybenzoic acid
CID 146688577

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid?
The IUPAC name of 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid (CID 167895239) is 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid.
What is the SMILES notation for 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid?
The canonical SMILES for 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid is CCCOc1c(OC)cc(C(=O)O)cc1-c1ccnc(C)c1.
What is the InChIKey of 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid?
The InChIKey is ADLGYBCNJVZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-4-7-22-16-14(12-5-6-18-11(2)8-12)9-13(17(19)20)10-15(16)21-3/h5-6,8-10H,4,7H2,1-3H3,(H,19,20).
What are the key properties of 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid?
3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid has a molecular weight of 301.34 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid is sourced from PubChem (CID 167895239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).