4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid

C19H12Cl2O5 — CID 67479312

IUPAC4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2ccccc2C(=O)O)c2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C19H12Cl2O5/c20-13-6-11-5-12(18(22)23)7-16(17(11)15(21)8-13)26-9-10-3-1-2-4-14(10)19(24)25/h1-8H,9H2,(H,22,23)(H,24,25)
InChIKeyTWZTUFQWEJSSEO-UHFFFAOYSA-N
MW391.21 g/mol
LogP5.12
Rot. Bonds5

About 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid

4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid (PubChem CID 67479312) has the molecular formula C19H12Cl2O5 and a molecular weight of 391.21 g/mol. Its IUPAC name is 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid
PubChem CID67479312
Molecular FormulaC19H12Cl2O5
Molecular Weight391.21 g/mol
Exact Mass390.01
IUPAC Name4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2ccccc2C(=O)O)c2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C19H12Cl2O5/c20-13-6-11-5-12(18(22)23)7-16(17(11)15(21)8-13)26-9-10-3-1-2-4-14(10)19(24)25/h1-8H,9H2,(H,22,23)(H,24,25)
InChIKeyTWZTUFQWEJSSEO-UHFFFAOYSA-N
XLogP5.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.21
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-carboxyphenyl)methylamino]-2-oxoethoxy]-5,7-dichloronaphthalene-2-carboxylic acid
CID 67479556
2-[(5-chloro-2-cyanophenoxy)methyl]benzoic acid
CID 114322427
5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid
CID 67481628
2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
CID 143555960
5,7-dichloro-4-[2-[N-(cyanomethyl)anilino]-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 87415811
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2-[(2-bromo-4-tert-butylphenoxy)methyl]benzoic acid
CID 22680482
4-[2-[4-(aminomethyl)-N-(carboxymethoxy)anilino]-2-oxoethoxy]-5,7-dichloronaphthalene-2-carboxylic acid
CID 87415849
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645

Frequently Asked Questions

What is the IUPAC name of 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid?
The IUPAC name of 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid (CID 67479312) is 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid is O=C(O)c1cc(OCc2ccccc2C(=O)O)c2c(Cl)cc(Cl)cc2c1.
What is the InChIKey of 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid?
The InChIKey is TWZTUFQWEJSSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2O5/c20-13-6-11-5-12(18(22)23)7-16(17(11)15(21)8-13)26-9-10-3-1-2-4-14(10)19(24)25/h1-8H,9H2,(H,22,23)(H,24,25).
What are the key properties of 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid?
4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid has a molecular weight of 391.21 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-carboxyphenyl)methoxy]-5,7-dichloronaphthalene-2-carboxylic acid is sourced from PubChem (CID 67479312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).