2-amino-5-(2,4-dichlorophenoxy)terephthalic acid

C14H9Cl2NO5 — CID 771613

IUPAC2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
SMILESNc1cc(C(=O)O)c(Oc2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H9Cl2NO5/c15-6-1-2-11(9(16)3-6)22-12-5-7(13(18)19)10(17)4-8(12)14(20)21/h1-5H,17H2,(H,18,19)(H,20,21)
InChIKeyZWPRBBDVCWESEY-UHFFFAOYSA-N
MW342.13 g/mol
LogP3.76
Rot. Bonds4

About 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid

2-amino-5-(2,4-dichlorophenoxy)terephthalic acid (PubChem CID 771613) has the molecular formula C14H9Cl2NO5 and a molecular weight of 342.13 g/mol. Its IUPAC name is 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid.

Molecular Properties

Compound Name2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
PubChem CID771613
Molecular FormulaC14H9Cl2NO5
Molecular Weight342.13 g/mol
Exact Mass340.99
IUPAC Name2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
SMILESNc1cc(C(=O)O)c(Oc2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H9Cl2NO5/c15-6-1-2-11(9(16)3-6)22-12-5-7(13(18)19)10(17)4-8(12)14(20)21/h1-5H,17H2,(H,18,19)(H,20,21)
InChIKeyZWPRBBDVCWESEY-UHFFFAOYSA-N
XLogP3.76
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525
5-chloro-2-[2-(2,4-dichlorophenoxy)propanoyloxy]benzoic acid
CID 54855091
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
3-(2-amino-4-chlorophenoxy)-2-chlorobenzoic acid
CID 125468152
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
3-[3-amino-4-(2,4-dichlorophenoxy)phenyl]propanoic acid
CID 70276085
5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid?
The IUPAC name of 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid (CID 771613) is 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid.
What is the SMILES notation for 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid?
The canonical SMILES for 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid is Nc1cc(C(=O)O)c(Oc2ccc(Cl)cc2Cl)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid?
The InChIKey is ZWPRBBDVCWESEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO5/c15-6-1-2-11(9(16)3-6)22-12-5-7(13(18)19)10(17)4-8(12)14(20)21/h1-5H,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid?
2-amino-5-(2,4-dichlorophenoxy)terephthalic acid has a molecular weight of 342.13 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4-dichlorophenoxy)terephthalic acid is sourced from PubChem (CID 771613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).