2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid

C15H13ClO5 — CID 62946260

IUPAC2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
SMILESCOc1cc(OC)cc(Oc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C15H13ClO5/c1-19-10-5-11(20-2)7-12(6-10)21-9-3-4-13(15(17)18)14(16)8-9/h3-8H,1-2H3,(H,17,18)
InChIKeyFFQFWSJSHJRBIJ-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.85
Rot. Bonds5

About 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid

2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid (PubChem CID 62946260) has the molecular formula C15H13ClO5 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
PubChem CID62946260
Molecular FormulaC15H13ClO5
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
SMILESCOc1cc(OC)cc(Oc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C15H13ClO5/c1-19-10-5-11(20-2)7-12(6-10)21-9-3-4-13(15(17)18)14(16)8-9/h3-8H,1-2H3,(H,17,18)
InChIKeyFFQFWSJSHJRBIJ-UHFFFAOYSA-N
XLogP3.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-3,5-dimethylphenoxy)-2-chlorobenzoic acid
CID 107726797
4-(4-tert-butylphenoxy)-2-chlorobenzoic acid
CID 63512968
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-chloro-4-(4-nitrophenoxy)benzoic acid
CID 62944604
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
CID 63514015

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid?
The IUPAC name of 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid (CID 62946260) is 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid.
What is the SMILES notation for 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid?
The canonical SMILES for 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid is COc1cc(OC)cc(Oc2ccc(C(=O)O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid?
The InChIKey is FFQFWSJSHJRBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO5/c1-19-10-5-11(20-2)7-12(6-10)21-9-3-4-13(15(17)18)14(16)8-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid?
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid has a molecular weight of 308.72 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid is sourced from PubChem (CID 62946260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).