7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid

C24H16Cl2O3 — CID 54584877

IUPAC7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1
InChIInChI=1S/C24H16Cl2O3/c25-22-7-4-8-23(26)21(22)14-29-18-9-10-19-16(12-18)11-17(24(27)28)13-20(19)15-5-2-1-3-6-15/h1-13H,14H2,(H,27,28)
InChIKeyOSHNOVRMESSXNM-UHFFFAOYSA-N
MW423.30 g/mol
LogP7.09
Rot. Bonds5

About 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid

7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid (PubChem CID 54584877) has the molecular formula C24H16Cl2O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid
PubChem CID54584877
Molecular FormulaC24H16Cl2O3
Molecular Weight423.30 g/mol
Exact Mass422.05
IUPAC Name7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1
InChIInChI=1S/C24H16Cl2O3/c25-22-7-4-8-23(26)21(22)14-29-18-9-10-19-16(12-18)11-17(24(27)28)13-20(19)15-5-2-1-3-6-15/h1-13H,14H2,(H,27,28)
InChIKeyOSHNOVRMESSXNM-UHFFFAOYSA-N
XLogP7.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-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-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
The IUPAC name of 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid (CID 54584877) is 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1.
What is the InChIKey of 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
The InChIKey is OSHNOVRMESSXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2O3/c25-22-7-4-8-23(26)21(22)14-29-18-9-10-19-16(12-18)11-17(24(27)28)13-20(19)15-5-2-1-3-6-15/h1-13H,14H2,(H,27,28).
What are the key properties of 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid has a molecular weight of 423.30 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dichlorophenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 54584877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).