4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid

C14H10Cl2O4 — CID 23656596

IUPAC4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2O4/c1-19-13-6-8(14(17)18)2-4-12(13)20-11-5-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyMRLRZVCXQWUIBP-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.49
Rot. Bonds4

About 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid

4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid (PubChem CID 23656596) has the molecular formula C14H10Cl2O4 and a molecular weight of 313.14 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid
PubChem CID23656596
Molecular FormulaC14H10Cl2O4
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2O4/c1-19-13-6-8(14(17)18)2-4-12(13)20-11-5-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyMRLRZVCXQWUIBP-UHFFFAOYSA-N
XLogP4.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid?
The IUPAC name of 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid (CID 23656596) is 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid?
The InChIKey is MRLRZVCXQWUIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O4/c1-19-13-6-8(14(17)18)2-4-12(13)20-11-5-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid?
4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid has a molecular weight of 313.14 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-3-methoxybenzoic acid is sourced from PubChem (CID 23656596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).