ethyl 5-chloro-2-methylbenzoate

C10H11ClO2 — CID 21269135

IUPACethyl 5-chloro-2-methylbenzoate
SMILESCCOC(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H11ClO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
InChIKeyUQFYMEQTOWLWHW-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.83
Rot. Bonds2

About ethyl 5-chloro-2-methylbenzoate

ethyl 5-chloro-2-methylbenzoate (PubChem CID 21269135) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is ethyl 5-chloro-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2-methylbenzoate
PubChem CID21269135
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Nameethyl 5-chloro-2-methylbenzoate
SMILESCCOC(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H11ClO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
InChIKeyUQFYMEQTOWLWHW-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

Analyze ethyl 5-chloro-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 66598
CID 66598
CID 17947
CID 17947
CID 11895
CID 11895
CID 14307
CID 14307
CID 82010
CID 82010
CID 67014
CID 67014
CID 6538043
CID 6538043
CID 6964
CID 6964
CID 17946
CID 17946
CID 33094
CID 33094
CID 81785
CID 81785
CID 82009
CID 82009

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-methylbenzoate?
The IUPAC name of ethyl 5-chloro-2-methylbenzoate (CID 21269135) is ethyl 5-chloro-2-methylbenzoate.
What is the SMILES notation for ethyl 5-chloro-2-methylbenzoate?
The canonical SMILES for ethyl 5-chloro-2-methylbenzoate is CCOC(=O)c1cc(Cl)ccc1C.
What is the InChIKey of ethyl 5-chloro-2-methylbenzoate?
The InChIKey is UQFYMEQTOWLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-2-methylbenzoate?
ethyl 5-chloro-2-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 5-chloro-2-methylbenzoate is sourced from PubChem (CID 21269135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).