4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid

C18H20O5 — CID 66770573

IUPAC4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid
SMILESCOc1ccccc1COCCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H20O5/c1-21-17-6-3-2-5-15(17)13-22-11-4-12-23-16-9-7-14(8-10-16)18(19)20/h2-3,5-10H,4,11-13H2,1H3,(H,19,20)
InChIKeyIJPKIVHKZRODQW-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.38
Rot. Bonds9

About 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid

4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid (PubChem CID 66770573) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid.

Molecular Properties

Compound Name4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid
PubChem CID66770573
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid
SMILESCOc1ccccc1COCCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H20O5/c1-21-17-6-3-2-5-15(17)13-22-11-4-12-23-16-9-7-14(8-10-16)18(19)20/h2-3,5-10H,4,11-13H2,1H3,(H,19,20)
InChIKeyIJPKIVHKZRODQW-UHFFFAOYSA-N
XLogP3.38
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic 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

4-[2-[(2-methylphenyl)methoxy]ethoxy]benzoic acid
CID 143158497
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
tert-butyl 3,5-dihydroxy-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
CID 54253597
3-[(3-carboxyphenyl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylic acid
CID 68506107
4-[2-(2-methoxyphenyl)sulfanylethoxy]benzoic acid
CID 20992099
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-[3-(2-phenoxyphenyl)propoxy]benzoic acid
CID 57156772
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-[3-(2-methylphenyl)propoxy]benzoic acid
CID 70113014
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
CID 21110216
N'-hydroxy-4-[(2-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76917582
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid?
The IUPAC name of 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid (CID 66770573) is 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid.
What is the SMILES notation for 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid?
The canonical SMILES for 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid is COc1ccccc1COCCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid?
The InChIKey is IJPKIVHKZRODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-21-17-6-3-2-5-15(17)13-22-11-4-12-23-16-9-7-14(8-10-16)18(19)20/h2-3,5-10H,4,11-13H2,1H3,(H,19,20).
What are the key properties of 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid?
4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid has a molecular weight of 316.35 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid is sourced from PubChem (CID 66770573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).