methyl 3-ethoxybenzoate

C10H12O3 — CID 3267781

IUPACmethyl 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OC)c1
InChIInChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7-9)10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyIFLQNIVRGRISMD-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.87
Rot. Bonds3

About methyl 3-ethoxybenzoate

methyl 3-ethoxybenzoate (PubChem CID 3267781) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 3-ethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-ethoxybenzoate
PubChem CID3267781
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OC)c1
InChIInChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7-9)10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyIFLQNIVRGRISMD-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
methyl 3-octoxybenzoate
CID 72706029
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
methyl 3-(4-oxobutoxy)benzoate
CID 25169734
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
methyl 3-(2-cyanoethoxy)benzoate
CID 69003479
methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8639971
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
CID 59716384
CID 59716384
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxybenzoate?
The IUPAC name of methyl 3-ethoxybenzoate (CID 3267781) is methyl 3-ethoxybenzoate.
What is the SMILES notation for methyl 3-ethoxybenzoate?
The canonical SMILES for methyl 3-ethoxybenzoate is CCOc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-ethoxybenzoate?
The InChIKey is IFLQNIVRGRISMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7-9)10(11)12-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 3-ethoxybenzoate?
methyl 3-ethoxybenzoate has a molecular weight of 180.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxybenzoate is sourced from PubChem (CID 3267781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).