2-methyl-3-morpholin-4-ylbenzoate

C12H14NO3- — CID 7148425

IUPAC2-methyl-3-morpholin-4-ylbenzoate
SMILESCc1c(C(=O)[O-])cccc1N1CCOCC1
InChIInChI=1S/C12H15NO3/c1-9-10(12(14)15)3-2-4-11(9)13-5-7-16-8-6-13/h2-4H,5-8H2,1H3,(H,14,15)/p-1
InChIKeySYRWDAQJCORHSV-UHFFFAOYSA-M
MW220.25 g/mol
LogP0.20
Rot. Bonds2

About 2-methyl-3-morpholin-4-ylbenzoate

2-methyl-3-morpholin-4-ylbenzoate (PubChem CID 7148425) has the molecular formula C12H14NO3- and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylbenzoate
PubChem CID7148425
Molecular FormulaC12H14NO3-
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-methyl-3-morpholin-4-ylbenzoate
SMILESCc1c(C(=O)[O-])cccc1N1CCOCC1
InChIInChI=1S/C12H15NO3/c1-9-10(12(14)15)3-2-4-11(9)13-5-7-16-8-6-13/h2-4H,5-8H2,1H3,(H,14,15)/p-1
InChIKeySYRWDAQJCORHSV-UHFFFAOYSA-M
XLogP0.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-ylbenzoate?
The IUPAC name of 2-methyl-3-morpholin-4-ylbenzoate (CID 7148425) is 2-methyl-3-morpholin-4-ylbenzoate.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylbenzoate?
The canonical SMILES for 2-methyl-3-morpholin-4-ylbenzoate is Cc1c(C(=O)[O-])cccc1N1CCOCC1.
What is the InChIKey of 2-methyl-3-morpholin-4-ylbenzoate?
The InChIKey is SYRWDAQJCORHSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO3/c1-9-10(12(14)15)3-2-4-11(9)13-5-7-16-8-6-13/h2-4H,5-8H2,1H3,(H,14,15)/p-1.
What are the key properties of 2-methyl-3-morpholin-4-ylbenzoate?
2-methyl-3-morpholin-4-ylbenzoate has a molecular weight of 220.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylbenzoate is sourced from PubChem (CID 7148425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).