methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate

C13H17NO5 — CID 117421318

IUPACmethyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate
SMILESCOC(=O)c1cc(C2CNCCO2)c(OC)cc1O
InChIInChI=1S/C13H17NO5/c1-17-11-6-10(15)8(13(16)18-2)5-9(11)12-7-14-3-4-19-12/h5-6,12,14-15H,3-4,7H2,1-2H3
InChIKeyFHTOSBXLNGKFAO-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.85
Rot. Bonds3

About methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate

methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate (PubChem CID 117421318) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate
PubChem CID117421318
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate
SMILESCOC(=O)c1cc(C2CNCCO2)c(OC)cc1O
InChIInChI=1S/C13H17NO5/c1-17-11-6-10(15)8(13(16)18-2)5-9(11)12-7-14-3-4-19-12/h5-6,12,14-15H,3-4,7H2,1-2H3
InChIKeyFHTOSBXLNGKFAO-UHFFFAOYSA-N
XLogP0.85
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
CID 176562995
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
CID 117390616
methyl 2,3-dimethyl-5-morpholin-2-ylbenzoate
CID 117376101
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
4-bromo-2-methoxy-6-morpholin-2-ylphenol
CID 117464726
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
2-(7-chloro-3-methoxynaphthalen-2-yl)morpholine
CID 117445267
5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide
CID 175361503
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate (CID 117421318) is methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate is COC(=O)c1cc(C2CNCCO2)c(OC)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate?
The InChIKey is FHTOSBXLNGKFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-17-11-6-10(15)8(13(16)18-2)5-9(11)12-7-14-3-4-19-12/h5-6,12,14-15H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate?
methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate has a molecular weight of 267.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-5-morpholin-2-ylbenzoate is sourced from PubChem (CID 117421318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).