1-ethoxypropan-2-yl 3-chlorobenzoate

C12H15ClO3 — CID 71145006

IUPAC1-ethoxypropan-2-yl 3-chlorobenzoate
SMILESCCOCC(C)OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-3-15-8-9(2)16-12(14)10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3
InChIKeyYHZLHHSXKNCSMW-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.92
Rot. Bonds5

About 1-ethoxypropan-2-yl 3-chlorobenzoate

1-ethoxypropan-2-yl 3-chlorobenzoate (PubChem CID 71145006) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 3-chlorobenzoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 3-chlorobenzoate
PubChem CID71145006
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-ethoxypropan-2-yl 3-chlorobenzoate
SMILESCCOCC(C)OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-3-15-8-9(2)16-12(14)10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3
InChIKeyYHZLHHSXKNCSMW-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropoxy)propan-2-yl 3-chlorobenzoate
CID 71145410
(1-ethoxy-3-methylbutan-2-yl) 3-chlorobenzoate
CID 71145193
(1-ethoxy-3,3-dimethylbutan-2-yl) 3-chlorobenzoate
CID 71145130
4-methylpentan-2-yl 3-chlorobenzoate
CID 91716229
[3-methyl-1-(2-methylpropoxy)butan-2-yl] 3-chlorobenzoate
CID 71145669
(1-methoxy-3-methylbutan-2-yl) 3-chlorobenzoate
CID 71145551
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
1-(4-methylpiperazin-1-yl)propan-2-yl 3-chlorobenzoate
CID 3152962
[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3-chlorobenzoate
CID 6937720
2-(2-methylpropoxy)ethyl 3-chlorobenzoate
CID 71145273
1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
CID 103489037
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 3-chlorobenzoate?
The IUPAC name of 1-ethoxypropan-2-yl 3-chlorobenzoate (CID 71145006) is 1-ethoxypropan-2-yl 3-chlorobenzoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 3-chlorobenzoate?
The canonical SMILES for 1-ethoxypropan-2-yl 3-chlorobenzoate is CCOCC(C)OC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-ethoxypropan-2-yl 3-chlorobenzoate?
The InChIKey is YHZLHHSXKNCSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-15-8-9(2)16-12(14)10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 3-chlorobenzoate?
1-ethoxypropan-2-yl 3-chlorobenzoate has a molecular weight of 242.70 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 3-chlorobenzoate is sourced from PubChem (CID 71145006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).