ethyl 2-chloro-4-methoxy-3-methylbenzoate

C11H13ClO3 — CID 164892224

IUPACethyl 2-chloro-4-methoxy-3-methylbenzoate
SMILESCCOC(=O)c1ccc(OC)c(C)c1Cl
InChIInChI=1S/C11H13ClO3/c1-4-15-11(13)8-5-6-9(14-3)7(2)10(8)12/h5-6H,4H2,1-3H3
InChIKeyAYZJXKBXALPNML-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-chloro-4-methoxy-3-methylbenzoate

ethyl 2-chloro-4-methoxy-3-methylbenzoate (PubChem CID 164892224) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is ethyl 2-chloro-4-methoxy-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-methoxy-3-methylbenzoate
PubChem CID164892224
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-chloro-4-methoxy-3-methylbenzoate
SMILESCCOC(=O)c1ccc(OC)c(C)c1Cl
InChIInChI=1S/C11H13ClO3/c1-4-15-11(13)8-5-6-9(14-3)7(2)10(8)12/h5-6H,4H2,1-3H3
InChIKeyAYZJXKBXALPNML-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-2-chloro-4-methoxybenzoate
CID 166071385
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
4-(2-chloro-4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 21483945
ethyl 4-bromo-2,3-dichlorobenzoate
CID 163198210
methyl 2-chloro-3-methyl-4-propan-2-yloxybenzoate
CID 164895514
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
ethyl 4-amino-3-bromo-2-chlorobenzoate
CID 171016631
ethyl 3-amino-4-bromo-2-chlorobenzoate
CID 171016259
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-methoxy-3-methylbenzoate?
The IUPAC name of ethyl 2-chloro-4-methoxy-3-methylbenzoate (CID 164892224) is ethyl 2-chloro-4-methoxy-3-methylbenzoate.
What is the SMILES notation for ethyl 2-chloro-4-methoxy-3-methylbenzoate?
The canonical SMILES for ethyl 2-chloro-4-methoxy-3-methylbenzoate is CCOC(=O)c1ccc(OC)c(C)c1Cl.
What is the InChIKey of ethyl 2-chloro-4-methoxy-3-methylbenzoate?
The InChIKey is AYZJXKBXALPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-4-15-11(13)8-5-6-9(14-3)7(2)10(8)12/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-chloro-4-methoxy-3-methylbenzoate?
ethyl 2-chloro-4-methoxy-3-methylbenzoate has a molecular weight of 228.67 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-methoxy-3-methylbenzoate is sourced from PubChem (CID 164892224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).