methyl 2-ethoxy-3-methoxybenzoate

C11H14O4 — CID 45094190

IUPACmethyl 2-ethoxy-3-methoxybenzoate
SMILESCCOc1c(OC)cccc1C(=O)OC
InChIInChI=1S/C11H14O4/c1-4-15-10-8(11(12)14-3)6-5-7-9(10)13-2/h5-7H,4H2,1-3H3
InChIKeyYXNKMWMVAJHPDH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-ethoxy-3-methoxybenzoate

methyl 2-ethoxy-3-methoxybenzoate (PubChem CID 45094190) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-3-methoxybenzoate
PubChem CID45094190
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-ethoxy-3-methoxybenzoate
SMILESCCOc1c(OC)cccc1C(=O)OC
InChIInChI=1S/C11H14O4/c1-4-15-10-8(11(12)14-3)6-5-7-9(10)13-2/h5-7H,4H2,1-3H3
InChIKeyYXNKMWMVAJHPDH-UHFFFAOYSA-N
XLogP1.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
hexyl 2-ethoxy-3-methoxybenzoate
CID 82186457
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 117054172
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-3-methoxybenzoate?
The IUPAC name of methyl 2-ethoxy-3-methoxybenzoate (CID 45094190) is methyl 2-ethoxy-3-methoxybenzoate.
What is the SMILES notation for methyl 2-ethoxy-3-methoxybenzoate?
The canonical SMILES for methyl 2-ethoxy-3-methoxybenzoate is CCOc1c(OC)cccc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-3-methoxybenzoate?
The InChIKey is YXNKMWMVAJHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-15-10-8(11(12)14-3)6-5-7-9(10)13-2/h5-7H,4H2,1-3H3.
What are the key properties of methyl 2-ethoxy-3-methoxybenzoate?
methyl 2-ethoxy-3-methoxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 45094190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).