ethyl 2-chloro-5-methylbenzoate

C10H11ClO2 — CID 20729316

IUPACethyl 2-chloro-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3
InChIKeyPMODZEYGPFPRKO-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.83
Rot. Bonds2

About ethyl 2-chloro-5-methylbenzoate

ethyl 2-chloro-5-methylbenzoate (PubChem CID 20729316) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is ethyl 2-chloro-5-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-methylbenzoate
PubChem CID20729316
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Nameethyl 2-chloro-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3
InChIKeyPMODZEYGPFPRKO-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-methylbenzoate?
The IUPAC name of ethyl 2-chloro-5-methylbenzoate (CID 20729316) is ethyl 2-chloro-5-methylbenzoate.
What is the SMILES notation for ethyl 2-chloro-5-methylbenzoate?
The canonical SMILES for ethyl 2-chloro-5-methylbenzoate is CCOC(=O)c1cc(C)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-methylbenzoate?
The InChIKey is PMODZEYGPFPRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-5-methylbenzoate?
ethyl 2-chloro-5-methylbenzoate 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 ethyl 2-chloro-5-methylbenzoate is sourced from PubChem (CID 20729316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).