7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid

C23H16ClFO3S — CID 59590461

IUPAC7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid
SMILESCc1ccc(Cl)c(COc2ccc3c(-c4ccsc4)cc(C(=O)O)cc3c2)c1F
InChIInChI=1S/C23H16ClFO3S/c1-13-2-5-21(24)20(22(13)25)11-28-17-3-4-18-15(9-17)8-16(23(26)27)10-19(18)14-6-7-29-12-14/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyFHIJHKXBLZZSQR-UHFFFAOYSA-N
MW426.90 g/mol
LogP6.95
Rot. Bonds5

About 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid

7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid (PubChem CID 59590461) has the molecular formula C23H16ClFO3S and a molecular weight of 426.90 g/mol. Its IUPAC name is 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid
PubChem CID59590461
Molecular FormulaC23H16ClFO3S
Molecular Weight426.90 g/mol
Exact Mass426.05
IUPAC Name7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid
SMILESCc1ccc(Cl)c(COc2ccc3c(-c4ccsc4)cc(C(=O)O)cc3c2)c1F
InChIInChI=1S/C23H16ClFO3S/c1-13-2-5-21(24)20(22(13)25)11-28-17-3-4-18-15(9-17)8-16(23(26)27)10-19(18)14-6-7-29-12-14/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyFHIJHKXBLZZSQR-UHFFFAOYSA-N
XLogP6.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-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-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid (CID 59590461) is 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid is Cc1ccc(Cl)c(COc2ccc3c(-c4ccsc4)cc(C(=O)O)cc3c2)c1F.
What is the InChIKey of 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
The InChIKey is FHIJHKXBLZZSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFO3S/c1-13-2-5-21(24)20(22(13)25)11-28-17-3-4-18-15(9-17)8-16(23(26)27)10-19(18)14-6-7-29-12-14/h2-10,12H,11H2,1H3,(H,26,27).
What are the key properties of 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid?
7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid has a molecular weight of 426.90 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-chloro-2-fluoro-3-methylphenyl)methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 59590461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).