2-[(3-decoxyphenyl)methoxy]benzoic acid

C24H32O4 — CID 91970420

IUPAC2-[(3-decoxyphenyl)methoxy]benzoic acid
SMILESCCCCCCCCCCOc1cccc(COc2ccccc2C(=O)O)c1
InChIInChI=1S/C24H32O4/c1-2-3-4-5-6-7-8-11-17-27-21-14-12-13-20(18-21)19-28-23-16-10-9-15-22(23)24(25)26/h9-10,12-16,18H,2-8,11,17,19H2,1H3,(H,25,26)
InChIKeyPLBNITYYDXPGSG-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.48
Rot. Bonds14

About 2-[(3-decoxyphenyl)methoxy]benzoic acid

2-[(3-decoxyphenyl)methoxy]benzoic acid (PubChem CID 91970420) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[(3-decoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(3-decoxyphenyl)methoxy]benzoic acid
PubChem CID91970420
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name2-[(3-decoxyphenyl)methoxy]benzoic acid
SMILESCCCCCCCCCCOc1cccc(COc2ccccc2C(=O)O)c1
InChIInChI=1S/C24H32O4/c1-2-3-4-5-6-7-8-11-17-27-21-14-12-13-20(18-21)19-28-23-16-10-9-15-22(23)24(25)26/h9-10,12-16,18H,2-8,11,17,19H2,1H3,(H,25,26)
InChIKeyPLBNITYYDXPGSG-UHFFFAOYSA-N
XLogP6.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-decoxyphenyl)methoxy]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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-decoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 2-[(3-decoxyphenyl)methoxy]benzoic acid (CID 91970420) is 2-[(3-decoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(3-decoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-[(3-decoxyphenyl)methoxy]benzoic acid is CCCCCCCCCCOc1cccc(COc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-decoxyphenyl)methoxy]benzoic acid?
The InChIKey is PLBNITYYDXPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-2-3-4-5-6-7-8-11-17-27-21-14-12-13-20(18-21)19-28-23-16-10-9-15-22(23)24(25)26/h9-10,12-16,18H,2-8,11,17,19H2,1H3,(H,25,26).
What are the key properties of 2-[(3-decoxyphenyl)methoxy]benzoic acid?
2-[(3-decoxyphenyl)methoxy]benzoic acid has a molecular weight of 384.52 g/mol, XLogP of 6.48, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-decoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 91970420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).