ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate

C11H10Cl2O2 — CID 6010430

IUPACethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3/b7-6+
InChIKeyLUUHRZVWQLCAAC-VOTSOKGWSA-N
MW245.10 g/mol
LogP3.57
Rot. Bonds3

About ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate

ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate (PubChem CID 6010430) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate
PubChem CID6010430
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Nameethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3/b7-6+
InChIKeyLUUHRZVWQLCAAC-VOTSOKGWSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate (CID 6010430) is ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate is CCOC(=O)/C=C/c1c(Cl)cccc1Cl.
What is the InChIKey of ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate?
The InChIKey is LUUHRZVWQLCAAC-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3/b7-6+.
What are the key properties of ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate?
ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate has a molecular weight of 245.10 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,6-dichlorophenyl)prop-2-enoate is sourced from PubChem (CID 6010430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).