3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid

C15H10Cl2O3 — CID 22684235

IUPAC3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H10Cl2O3/c16-11-4-7-13(17)14(9-11)20-12-5-1-10(2-6-12)3-8-15(18)19/h1-9H,(H,18,19)
InChIKeyHDXUJJUXHHEBQD-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.88
Rot. Bonds4

About 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid

3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid (PubChem CID 22684235) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid
PubChem CID22684235
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H10Cl2O3/c16-11-4-7-13(17)14(9-11)20-12-5-1-10(2-6-12)3-8-15(18)19/h1-9H,(H,18,19)
InChIKeyHDXUJJUXHHEBQD-UHFFFAOYSA-N
XLogP4.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(2-chloro-5-methylphenoxy)phenyl]prop-2-enoic acid
CID 43364461
3-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20993022
(E)-3-[3-chloro-4-(3,4-difluorophenoxy)phenyl]prop-2-enoic acid
CID 81150944
(E)-3-[4-(4-bromophenoxy)-3-chlorophenyl]prop-2-enoic acid
CID 81154683
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
3-(4-chloro-3-phenoxyphenyl)prop-2-enamide
CID 175380872
(E)-3-[3-chloro-4-(4-chloro-3-methylphenoxy)phenyl]prop-2-enoic acid
CID 81151324
3-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
CID 22683399
(E)-3-[4-(4-iodophenoxy)phenyl]prop-2-enoic acid
CID 43327337
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
3-[4-(3,5-dimethylphenoxy)phenyl]prop-2-enoic acid
CID 20988627
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid (CID 22684235) is 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid?
The InChIKey is HDXUJJUXHHEBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c16-11-4-7-13(17)14(9-11)20-12-5-1-10(2-6-12)3-8-15(18)19/h1-9H,(H,18,19).
What are the key properties of 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid?
3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid has a molecular weight of 309.15 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 22684235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).