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

C12H15ClO3 — CID 164894970

IUPACethyl 4-chloro-2-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(Cl)cc1OC(C)C
InChIInChI=1S/C12H15ClO3/c1-4-15-12(14)10-6-5-9(13)7-11(10)16-8(2)3/h5-8H,4H2,1-3H3
InChIKeyMRCMYYZWOZXGJV-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.30
Rot. Bonds4

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

ethyl 4-chloro-2-propan-2-yloxybenzoate (PubChem CID 164894970) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 4-chloro-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Nameethyl 4-chloro-2-propan-2-yloxybenzoate
PubChem CID164894970
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 4-chloro-2-propan-2-yloxybenzoate
SMILESCCOC(=O)c1ccc(Cl)cc1OC(C)C
InChIInChI=1S/C12H15ClO3/c1-4-15-12(14)10-6-5-9(13)7-11(10)16-8(2)3/h5-8H,4H2,1-3H3
InChIKeyMRCMYYZWOZXGJV-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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Related Compounds

diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
ethyl 2-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate
CID 91128436
ethyl 2,3-difluoro-4-propan-2-yloxybenzoate
CID 163198291
ethyl 2-(2-carbamothioyl-5-chlorophenoxy)propanoate
CID 113277353
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
1-O-(2,2-dimethylpropyl) 2-O-ethyl 4-chlorobenzene-1,2-dicarboxylate
CID 23502380
ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
ethyl 2-(2-bromoethyl)-4-chlorobenzoate
CID 174442445
ethyl 5-chloro-2-propylsulfanylbenzoate
CID 82553574

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-propan-2-yloxybenzoate?
The IUPAC name of ethyl 4-chloro-2-propan-2-yloxybenzoate (CID 164894970) is ethyl 4-chloro-2-propan-2-yloxybenzoate.
What is the SMILES notation for ethyl 4-chloro-2-propan-2-yloxybenzoate?
The canonical SMILES for ethyl 4-chloro-2-propan-2-yloxybenzoate is CCOC(=O)c1ccc(Cl)cc1OC(C)C.
What is the InChIKey of ethyl 4-chloro-2-propan-2-yloxybenzoate?
The InChIKey is MRCMYYZWOZXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-15-12(14)10-6-5-9(13)7-11(10)16-8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-chloro-2-propan-2-yloxybenzoate?
ethyl 4-chloro-2-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 4-chloro-2-propan-2-yloxybenzoate is sourced from PubChem (CID 164894970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).