(2-chloro-5-ethylphenyl) acetate

C10H11ClO2 — CID 142057542

IUPAC(2-chloro-5-ethylphenyl) acetate
SMILESCCc1ccc(Cl)c(OC(C)=O)c1
InChIInChI=1S/C10H11ClO2/c1-3-8-4-5-9(11)10(6-8)13-7(2)12/h4-6H,3H2,1-2H3
InChIKeyPSOZOSNPKXGWMC-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.83
Rot. Bonds2

About (2-chloro-5-ethylphenyl) acetate

(2-chloro-5-ethylphenyl) acetate (PubChem CID 142057542) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (2-chloro-5-ethylphenyl) acetate.

Molecular Properties

Compound Name(2-chloro-5-ethylphenyl) acetate
PubChem CID142057542
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(2-chloro-5-ethylphenyl) acetate
SMILESCCc1ccc(Cl)c(OC(C)=O)c1
InChIInChI=1S/C10H11ClO2/c1-3-8-4-5-9(11)10(6-8)13-7(2)12/h4-6H,3H2,1-2H3
InChIKeyPSOZOSNPKXGWMC-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-ethylphenyl) acetate?
The IUPAC name of (2-chloro-5-ethylphenyl) acetate (CID 142057542) is (2-chloro-5-ethylphenyl) acetate.
What is the SMILES notation for (2-chloro-5-ethylphenyl) acetate?
The canonical SMILES for (2-chloro-5-ethylphenyl) acetate is CCc1ccc(Cl)c(OC(C)=O)c1.
What is the InChIKey of (2-chloro-5-ethylphenyl) acetate?
The InChIKey is PSOZOSNPKXGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-3-8-4-5-9(11)10(6-8)13-7(2)12/h4-6H,3H2,1-2H3.
What are the key properties of (2-chloro-5-ethylphenyl) acetate?
(2-chloro-5-ethylphenyl) acetate has a molecular weight of 198.65 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-ethylphenyl) acetate is sourced from PubChem (CID 142057542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).