methyl 2-chloro-3-ethoxybenzoate

C10H11ClO3 — CID 153384236

IUPACmethyl 2-chloro-3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OC)c1Cl
InChIInChI=1S/C10H11ClO3/c1-3-14-8-6-4-5-7(9(8)11)10(12)13-2/h4-6H,3H2,1-2H3
InChIKeySNUOXEQABIWWTQ-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.53
Rot. Bonds3

About methyl 2-chloro-3-ethoxybenzoate

methyl 2-chloro-3-ethoxybenzoate (PubChem CID 153384236) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-chloro-3-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-ethoxybenzoate
PubChem CID153384236
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-chloro-3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OC)c1Cl
InChIInChI=1S/C10H11ClO3/c1-3-14-8-6-4-5-7(9(8)11)10(12)13-2/h4-6H,3H2,1-2H3
InChIKeySNUOXEQABIWWTQ-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
CID 108877191
methyl 2-chloro-3-pyridin-4-yloxybenzoate
CID 141188004
methyl 2-chloro-3-sulfanylbenzoate
CID 70148782
2-ethoxybenzenecarboperoxoic acid
CID 22314606
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzoate
CID 51047353
methyl 3-chloro-6-[(2-ethoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 4867278
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
methyl 3-chloro-2-ethoxy-4-methylbenzoate
CID 164896159

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-ethoxybenzoate?
The IUPAC name of methyl 2-chloro-3-ethoxybenzoate (CID 153384236) is methyl 2-chloro-3-ethoxybenzoate.
What is the SMILES notation for methyl 2-chloro-3-ethoxybenzoate?
The canonical SMILES for methyl 2-chloro-3-ethoxybenzoate is CCOc1cccc(C(=O)OC)c1Cl.
What is the InChIKey of methyl 2-chloro-3-ethoxybenzoate?
The InChIKey is SNUOXEQABIWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-3-14-8-6-4-5-7(9(8)11)10(12)13-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-3-ethoxybenzoate?
methyl 2-chloro-3-ethoxybenzoate has a molecular weight of 214.65 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-ethoxybenzoate is sourced from PubChem (CID 153384236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).