[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate

C13H12Cl2O2 — CID 53467478

IUPAC[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate
SMILESC=CC/C(Cl)=C(/OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C13H12Cl2O2/c1-3-6-12(15)13(17-9(2)16)10-7-4-5-8-11(10)14/h3-5,7-8H,1,6H2,2H3/b13-12-
InChIKeyUGHQEGHORGRCIF-SEYXRHQNSA-N
MW271.14 g/mol
LogP4.39
Rot. Bonds4

About [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate

[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate (PubChem CID 53467478) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate.

Molecular Properties

Compound Name[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate
PubChem CID53467478
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate
SMILESC=CC/C(Cl)=C(/OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C13H12Cl2O2/c1-3-6-12(15)13(17-9(2)16)10-7-4-5-8-11(10)14/h3-5,7-8H,1,6H2,2H3/b13-12-
InChIKeyUGHQEGHORGRCIF-SEYXRHQNSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1Z)-2-chloro-1-(3,4-dimethoxyphenyl)penta-1,4-dienyl] acetate
CID 53467485
1-(3-chloro-2-prop-2-enoxyphenyl)ethanone
CID 82078008
[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
1-(3-chloro-2-fluorophenyl)but-3-en-1-one
CID 64713430
[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
CID 88744854
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
[(1E)-2-ethenyl-5-methyl-1-phenylhexa-1,4-dienyl] acetate
CID 101351614
3-oxobutanoyl 2-chlorobenzoate
CID 175590196
prop-2-enyl 2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
CID 70607922
penta-1,4-dien-2-yl acetate
CID 87522021
1-(2-hydroxyphenyl)but-3-en-1-one
CID 68794412
1,2-dichloro-3-phenylbenzene;prop-2-enyl acetate
CID 175275718

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate?
The IUPAC name of [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate (CID 53467478) is [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate.
What is the SMILES notation for [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate?
The canonical SMILES for [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate is C=CC/C(Cl)=C(/OC(C)=O)c1ccccc1Cl.
What is the InChIKey of [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate?
The InChIKey is UGHQEGHORGRCIF-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c1-3-6-12(15)13(17-9(2)16)10-7-4-5-8-11(10)14/h3-5,7-8H,1,6H2,2H3/b13-12-.
What are the key properties of [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate?
[(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate has a molecular weight of 271.14 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-chloro-1-(2-chlorophenyl)penta-1,4-dienyl] acetate is sourced from PubChem (CID 53467478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).