[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate

C12H13ClO3 — CID 54604290

IUPAC[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate
SMILESCCOC(=O)O/C(C)=C\c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO3/c1-3-15-12(14)16-9(2)8-10-4-6-11(13)7-5-10/h4-8H,3H2,1-2H3/b9-8-
InChIKeyDLMQBNZQYAFCOX-HJWRWDBZSA-N
MW240.69 g/mol
LogP3.87
Rot. Bonds3

About [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate

[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate (PubChem CID 54604290) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate
PubChem CID54604290
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate
SMILESCCOC(=O)O/C(C)=C\c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClO3/c1-3-15-12(14)16-9(2)8-10-4-6-11(13)7-5-10/h4-8H,3H2,1-2H3/b9-8-
InChIKeyDLMQBNZQYAFCOX-HJWRWDBZSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347
diethyl 2-[(4-chlorophenyl)methylidene]butanedioate
CID 85409409
[1-carboxyoxy-6-(4-chlorophenyl)hexa-1,3,5-trienyl] ethyl carbonate
CID 88683455
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
ethyl 4-[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl]-1H-pyrrole-2-carboxylate
CID 173475512
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
ethyl 2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-oxobutanoate
CID 54111479
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
(Z)-3-(chloromethyl)-4-(4-chlorophenyl)but-3-en-2-one
CID 11458843
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate?
The IUPAC name of [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate (CID 54604290) is [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate.
What is the SMILES notation for [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate?
The canonical SMILES for [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate is CCOC(=O)O/C(C)=C\c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate?
The InChIKey is DLMQBNZQYAFCOX-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-3-15-12(14)16-9(2)8-10-4-6-11(13)7-5-10/h4-8H,3H2,1-2H3/b9-8-.
What are the key properties of [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate?
[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate has a molecular weight of 240.69 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-chlorophenyl)prop-1-en-2-yl] ethyl carbonate is sourced from PubChem (CID 54604290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).