propan-2-yl 3,5-dichloro-4-ethoxybenzoate

C12H14Cl2O3 — CID 82550869

IUPACpropan-2-yl 3,5-dichloro-4-ethoxybenzoate
SMILESCCOc1c(Cl)cc(C(=O)OC(C)C)cc1Cl
InChIInChI=1S/C12H14Cl2O3/c1-4-16-11-9(13)5-8(6-10(11)14)12(15)17-7(2)3/h5-7H,4H2,1-3H3
InChIKeyBZQPABZQFGENQL-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.96
Rot. Bonds4

About propan-2-yl 3,5-dichloro-4-ethoxybenzoate

propan-2-yl 3,5-dichloro-4-ethoxybenzoate (PubChem CID 82550869) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is propan-2-yl 3,5-dichloro-4-ethoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 3,5-dichloro-4-ethoxybenzoate
PubChem CID82550869
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Namepropan-2-yl 3,5-dichloro-4-ethoxybenzoate
SMILESCCOc1c(Cl)cc(C(=O)OC(C)C)cc1Cl
InChIInChI=1S/C12H14Cl2O3/c1-4-16-11-9(13)5-8(6-10(11)14)12(15)17-7(2)3/h5-7H,4H2,1-3H3
InChIKeyBZQPABZQFGENQL-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
propan-2-yl 3,5-dichlorobenzoate
CID 60642653
(1-amino-1-oxopropan-2-yl) 3-chloro-5-ethoxy-4-propoxybenzoate
CID 6914957
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654437
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
methyl 3-chloro-5-cyano-4-ethoxybenzoate
CID 167091624
3-chloro-4,5-diethoxybenzoate
CID 7326781
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-ethoxybenzoate
CID 8603349
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
(1-amino-1-oxopropan-2-yl) 3,4,5-triethoxybenzoate
CID 6914992

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,5-dichloro-4-ethoxybenzoate?
The IUPAC name of propan-2-yl 3,5-dichloro-4-ethoxybenzoate (CID 82550869) is propan-2-yl 3,5-dichloro-4-ethoxybenzoate.
What is the SMILES notation for propan-2-yl 3,5-dichloro-4-ethoxybenzoate?
The canonical SMILES for propan-2-yl 3,5-dichloro-4-ethoxybenzoate is CCOc1c(Cl)cc(C(=O)OC(C)C)cc1Cl.
What is the InChIKey of propan-2-yl 3,5-dichloro-4-ethoxybenzoate?
The InChIKey is BZQPABZQFGENQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3/c1-4-16-11-9(13)5-8(6-10(11)14)12(15)17-7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of propan-2-yl 3,5-dichloro-4-ethoxybenzoate?
propan-2-yl 3,5-dichloro-4-ethoxybenzoate has a molecular weight of 277.15 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,5-dichloro-4-ethoxybenzoate is sourced from PubChem (CID 82550869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).