(2,4-dichlorophenyl) pent-3-enoate

C11H10Cl2O2 — CID 174799390

IUPAC(2,4-dichlorophenyl) pent-3-enoate
SMILESCC=CCC(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-3-4-11(14)15-10-6-5-8(12)7-9(10)13/h2-3,5-7H,4H2,1H3
InChIKeyPOHXNFQLGLAMIN-UHFFFAOYSA-N
MW245.11 g/mol
LogP3.87
Rot. Bonds3

About (2,4-dichlorophenyl) pent-3-enoate

(2,4-dichlorophenyl) pent-3-enoate (PubChem CID 174799390) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.11 g/mol. Its IUPAC name is (2,4-dichlorophenyl) pent-3-enoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) pent-3-enoate
PubChem CID174799390
Molecular FormulaC11H10Cl2O2
Molecular Weight245.11 g/mol
Exact Mass244.01
IUPAC Name(2,4-dichlorophenyl) pent-3-enoate
SMILESCC=CCC(=O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-3-4-11(14)15-10-6-5-8(12)7-9(10)13/h2-3,5-7H,4H2,1H3
InChIKeyPOHXNFQLGLAMIN-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate
CID 91736263
3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
3-(2,4-dichlorophenoxy)but-2-enoyl chloride
CID 139622060
2,4-dichloro-1-(1-chloro-3-methylbut-1-en-2-yl)oxybenzene
CID 54454428
[5-chloro-2-(2,4-dichlorophenoxy)phenyl] 4-amino-4-oxobutanoate
CID 44576958
1-O-(2,4-dichlorophenyl) 4-O-(3-methylbutan-2-yl) (E)-but-2-enedioate
CID 91701225
(2-tert-butylphenyl) 4-(2,4-dichlorophenoxy)butanoate
CID 19184255
(2,4-dichlorophenyl) 2-(1,1-dioxothiolan-3-yl)acetate
CID 4668174
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid
CID 11947687

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) pent-3-enoate?
The IUPAC name of (2,4-dichlorophenyl) pent-3-enoate (CID 174799390) is (2,4-dichlorophenyl) pent-3-enoate.
What is the SMILES notation for (2,4-dichlorophenyl) pent-3-enoate?
The canonical SMILES for (2,4-dichlorophenyl) pent-3-enoate is CC=CCC(=O)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) pent-3-enoate?
The InChIKey is POHXNFQLGLAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-2-3-4-11(14)15-10-6-5-8(12)7-9(10)13/h2-3,5-7H,4H2,1H3.
What are the key properties of (2,4-dichlorophenyl) pent-3-enoate?
(2,4-dichlorophenyl) pent-3-enoate has a molecular weight of 245.11 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) pent-3-enoate is sourced from PubChem (CID 174799390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).