7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid

C20H18O3 — CID 54580937

IUPAC7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCc1cccc(C)c1COc1ccc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C20H18O3/c1-13-4-3-5-14(2)19(13)12-23-18-9-8-15-6-7-16(20(21)22)10-17(15)11-18/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyVNXWMSFVGNEINS-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.73
Rot. Bonds4

About 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid

7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid (PubChem CID 54580937) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
PubChem CID54580937
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCc1cccc(C)c1COc1ccc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C20H18O3/c1-13-4-3-5-14(2)19(13)12-23-18-9-8-15-6-7-16(20(21)22)10-17(15)11-18/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyVNXWMSFVGNEINS-UHFFFAOYSA-N
XLogP4.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic 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 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid (CID 54580937) is 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid is Cc1cccc(C)c1COc1ccc2ccc(C(=O)O)cc2c1.
What is the InChIKey of 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The InChIKey is VNXWMSFVGNEINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13-4-3-5-14(2)19(13)12-23-18-9-8-15-6-7-16(20(21)22)10-17(15)11-18/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 54580937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).