ethyl 2-chloro-4-propan-2-yloxybenzoate

C12H15ClO3 — CID 82551782

IUPACethyl 2-chloro-4-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C)cc1Cl
InChIInChI=1S/C12H15ClO3/c1-4-15-12(14)10-6-5-9(7-11(10)13)16-8(2)3/h5-8H,4H2,1-3H3
InChIKeyCSYMMBWBXGSATG-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.30
Rot. Bonds4

About ethyl 2-chloro-4-propan-2-yloxybenzoate

ethyl 2-chloro-4-propan-2-yloxybenzoate (PubChem CID 82551782) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 2-chloro-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-propan-2-yloxybenzoate
PubChem CID82551782
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-chloro-4-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(OC(C)C)cc1Cl
InChIInChI=1S/C12H15ClO3/c1-4-15-12(14)10-6-5-9(7-11(10)13)16-8(2)3/h5-8H,4H2,1-3H3
InChIKeyCSYMMBWBXGSATG-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-propan-2-yloxybenzoate?
The IUPAC name of ethyl 2-chloro-4-propan-2-yloxybenzoate (CID 82551782) is ethyl 2-chloro-4-propan-2-yloxybenzoate.
What is the SMILES notation for ethyl 2-chloro-4-propan-2-yloxybenzoate?
The canonical SMILES for ethyl 2-chloro-4-propan-2-yloxybenzoate is CCOC(=O)c1ccc(OC(C)C)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-propan-2-yloxybenzoate?
The InChIKey is CSYMMBWBXGSATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-15-12(14)10-6-5-9(7-11(10)13)16-8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-chloro-4-propan-2-yloxybenzoate?
ethyl 2-chloro-4-propan-2-yloxybenzoate has a molecular weight of 242.70 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-propan-2-yloxybenzoate is sourced from PubChem (CID 82551782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).