(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid

C10H6Cl2O5 — CID 11947687

IUPAC(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid
SMILESO=C(O)/C=C(\Oc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H6Cl2O5/c11-5-1-2-7(6(12)3-5)17-8(10(15)16)4-9(13)14/h1-4H,(H,13,14)(H,15,16)/b8-4-
InChIKeyWZGPQIYEVPPBAX-YWEYNIOJSA-N
MW277.06 g/mol
LogP2.43
Rot. Bonds4

About (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid

(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid (PubChem CID 11947687) has the molecular formula C10H6Cl2O5 and a molecular weight of 277.06 g/mol. Its IUPAC name is (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid
PubChem CID11947687
Molecular FormulaC10H6Cl2O5
Molecular Weight277.06 g/mol
Exact Mass275.96
IUPAC Name(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid
SMILESO=C(O)/C=C(\Oc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H6Cl2O5/c11-5-1-2-7(6(12)3-5)17-8(10(15)16)4-9(13)14/h1-4H,(H,13,14)(H,15,16)/b8-4-
InChIKeyWZGPQIYEVPPBAX-YWEYNIOJSA-N
XLogP2.43
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-chloro-2-methoxyphenoxy)but-2-enedioic acid;(E)-2-(4-chloro-2-methoxyphenoxy)but-2-enedioic acid
CID 175803273
3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
(E)-2-(4-chlorophenoxy)but-2-enedioic acid
CID 5383727
3-(2,4-dichlorophenoxy)but-2-enoyl chloride
CID 139622060
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
(Z)-2-(4-chloro-2-methylphenoxy)-3-formyloxyprop-2-enoic acid
CID 162166860
(2,4-dichlorophenyl) pent-3-enoate
CID 174799390
1-O-(3-chlorophenyl) 4-O-(2,4-dichlorophenyl) (E)-but-2-enedioate
CID 91734070
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
2-(4-chloro-2-methylphenoxy)-4-methoxybut-2-enoic acid
CID 174422255
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid?
The IUPAC name of (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid (CID 11947687) is (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid.
What is the SMILES notation for (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid?
The canonical SMILES for (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid is O=C(O)/C=C(\Oc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid?
The InChIKey is WZGPQIYEVPPBAX-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H6Cl2O5/c11-5-1-2-7(6(12)3-5)17-8(10(15)16)4-9(13)14/h1-4H,(H,13,14)(H,15,16)/b8-4-.
What are the key properties of (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid?
(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid has a molecular weight of 277.06 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid is sourced from PubChem (CID 11947687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).