4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid

C15H12Cl2O4 — CID 16768707

IUPAC4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O4/c1-20-12-6-9(15(18)19)7-13(21-2)14(12)8-3-4-10(16)11(17)5-8/h3-7H,1-2H3,(H,18,19)
InChIKeyHFJLWZOWQVFVTO-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.38
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid

4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid (PubChem CID 16768707) has the molecular formula C15H12Cl2O4 and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
PubChem CID16768707
Molecular FormulaC15H12Cl2O4
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O4/c1-20-12-6-9(15(18)19)7-13(21-2)14(12)8-3-4-10(16)11(17)5-8/h3-7H,1-2H3,(H,18,19)
InChIKeyHFJLWZOWQVFVTO-UHFFFAOYSA-N
XLogP4.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-4-ethoxy-5-methoxybenzoic acid
CID 16768705
4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
CID 102584485
3,5-dimethoxy-4-(1H-pyrazol-4-yl)benzoic acid
CID 122560425
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
CID 54447835
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 114020568
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
3-(4-chloro-3-methoxyphenyl)-5-nitrobenzoic acid
CID 115512523
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
2-(3,4-dichlorophenyl)-4-hydroxy-5-methoxybenzene-1,3-dicarbonitrile
CID 131743308
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid (CID 16768707) is 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid?
The InChIKey is HFJLWZOWQVFVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4/c1-20-12-6-9(15(18)19)7-13(21-2)14(12)8-3-4-10(16)11(17)5-8/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid?
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid has a molecular weight of 327.16 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 16768707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).