methyl 2-ethyl-5-methoxybenzoate

C11H14O3 — CID 89096132

IUPACmethyl 2-ethyl-5-methoxybenzoate
SMILESCCc1ccc(OC)cc1C(=O)OC
InChIInChI=1S/C11H14O3/c1-4-8-5-6-9(13-2)7-10(8)11(12)14-3/h5-7H,4H2,1-3H3
InChIKeySJDDDHMBINZOKN-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-ethyl-5-methoxybenzoate

methyl 2-ethyl-5-methoxybenzoate (PubChem CID 89096132) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-ethyl-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-methoxybenzoate
PubChem CID89096132
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-ethyl-5-methoxybenzoate
SMILESCCc1ccc(OC)cc1C(=O)OC
InChIInChI=1S/C11H14O3/c1-4-8-5-6-9(13-2)7-10(8)11(12)14-3/h5-7H,4H2,1-3H3
InChIKeySJDDDHMBINZOKN-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium
CID 170760992
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
methyl 2-ethyl-5-nitrobenzoate
CID 54220219
N-(diaminomethylidene)-2-ethyl-5-(trifluoromethoxy)benzamide;methyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 18925655
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
potassium trifluoro-[(5-methoxy-2-methoxycarbonylphenyl)methyl]boranuide
CID 171374135

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-methoxybenzoate?
The IUPAC name of methyl 2-ethyl-5-methoxybenzoate (CID 89096132) is methyl 2-ethyl-5-methoxybenzoate.
What is the SMILES notation for methyl 2-ethyl-5-methoxybenzoate?
The canonical SMILES for methyl 2-ethyl-5-methoxybenzoate is CCc1ccc(OC)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-methoxybenzoate?
The InChIKey is SJDDDHMBINZOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-8-5-6-9(13-2)7-10(8)11(12)14-3/h5-7H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-5-methoxybenzoate?
methyl 2-ethyl-5-methoxybenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-methoxybenzoate is sourced from PubChem (CID 89096132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).