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

C14H10Cl2O4 — CID 81309181

IUPAC2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10Cl2O4/c1-19-10-2-3-12(14(17)18)13(7-10)20-11-5-8(15)4-9(16)6-11/h2-7H,1H3,(H,17,18)
InChIKeySEIDAXJBXIESEZ-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.49
Rot. Bonds4

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

2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid (PubChem CID 81309181) has the molecular formula C14H10Cl2O4 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
PubChem CID81309181
Molecular FormulaC14H10Cl2O4
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10Cl2O4/c1-19-10-2-3-12(14(17)18)13(7-10)20-11-5-8(15)4-9(16)6-11/h2-7H,1H3,(H,17,18)
InChIKeySEIDAXJBXIESEZ-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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Related Compounds

2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
CID 62857687
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-(5-chloro-2-nitrophenoxy)-4-methoxybenzoic acid
CID 14489875
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-[3-(dimethylamino)phenoxy]-4-methoxybenzoic acid
CID 81300432
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid?
The IUPAC name of 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid (CID 81309181) is 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(Oc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid?
The InChIKey is SEIDAXJBXIESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O4/c1-19-10-2-3-12(14(17)18)13(7-10)20-11-5-8(15)4-9(16)6-11/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid?
2-(3,5-dichlorophenoxy)-4-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 2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid is sourced from PubChem (CID 81309181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).