(2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate

C11H10Cl2O2 — CID 154293711

IUPAC(2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C11H10Cl2O2/c1-4-9(14)15-8-5-6(2)10(12)7(3)11(8)13/h4-5H,1H2,2-3H3
InChIKeyBYLSFMWKDAWFQH-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.70
Rot. Bonds2

About (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate

(2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate (PubChem CID 154293711) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate
PubChem CID154293711
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name(2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C11H10Cl2O2/c1-4-9(14)15-8-5-6(2)10(12)7(3)11(8)13/h4-5H,1H2,2-3H3
InChIKeyBYLSFMWKDAWFQH-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate?
The IUPAC name of (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate (CID 154293711) is (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate.
What is the SMILES notation for (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate?
The canonical SMILES for (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate is C=CC(=O)Oc1cc(C)c(Cl)c(C)c1Cl.
What is the InChIKey of (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate?
The InChIKey is BYLSFMWKDAWFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-4-9(14)15-8-5-6(2)10(12)7(3)11(8)13/h4-5H,1H2,2-3H3.
What are the key properties of (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate?
(2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate has a molecular weight of 245.10 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3,5-dimethylphenyl) prop-2-enoate is sourced from PubChem (CID 154293711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).