3-(2,4-dichlorophenyl)-5-methoxybenzoic acid

C14H10Cl2O3 — CID 53227681

IUPAC3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl2O3/c1-19-11-5-8(4-9(6-11)14(17)18)12-3-2-10(15)7-13(12)16/h2-7H,1H3,(H,17,18)
InChIKeyAZJCQEQULLQJDL-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.37
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid

3-(2,4-dichlorophenyl)-5-methoxybenzoic acid (PubChem CID 53227681) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
PubChem CID53227681
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl2O3/c1-19-11-5-8(4-9(6-11)14(17)18)12-3-2-10(15)7-13(12)16/h2-7H,1H3,(H,17,18)
InChIKeyAZJCQEQULLQJDL-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
CID 53228156
3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine
CID 162750667
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
CID 57248171
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53227480
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
5-chloro-2-(3,5-dimethoxyphenyl)aniline
CID 81274669

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid (CID 53227681) is 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid?
The InChIKey is AZJCQEQULLQJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c1-19-11-5-8(4-9(6-11)14(17)18)12-3-2-10(15)7-13(12)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid?
3-(2,4-dichlorophenyl)-5-methoxybenzoic acid has a molecular weight of 297.14 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 53227681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).