2-chloro-3-morpholin-4-ylbenzoic acid

C11H12ClNO3 — CID 155573324

IUPAC2-chloro-3-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1cccc(N2CCOCC2)c1Cl
InChIInChI=1S/C11H12ClNO3/c12-10-8(11(14)15)2-1-3-9(10)13-4-6-16-7-5-13/h1-3H,4-7H2,(H,14,15)
InChIKeyOFTOGEXEEBMQBQ-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.87
Rot. Bonds2

About 2-chloro-3-morpholin-4-ylbenzoic acid

2-chloro-3-morpholin-4-ylbenzoic acid (PubChem CID 155573324) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-chloro-3-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-chloro-3-morpholin-4-ylbenzoic acid
PubChem CID155573324
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-chloro-3-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1cccc(N2CCOCC2)c1Cl
InChIInChI=1S/C11H12ClNO3/c12-10-8(11(14)15)2-1-3-9(10)13-4-6-16-7-5-13/h1-3H,4-7H2,(H,14,15)
InChIKeyOFTOGEXEEBMQBQ-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
2-chloro-3-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]benzoic acid
CID 163206835
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
CID 23793828
2-iodo-6-morpholin-4-ylbenzoic acid
CID 171316340
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-(4-morpholin-4-ylbenzoyl)benzoic acid
CID 20536938
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-morpholin-4-ylbenzoic acid?
The IUPAC name of 2-chloro-3-morpholin-4-ylbenzoic acid (CID 155573324) is 2-chloro-3-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2-chloro-3-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2-chloro-3-morpholin-4-ylbenzoic acid is O=C(O)c1cccc(N2CCOCC2)c1Cl.
What is the InChIKey of 2-chloro-3-morpholin-4-ylbenzoic acid?
The InChIKey is OFTOGEXEEBMQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-10-8(11(14)15)2-1-3-9(10)13-4-6-16-7-5-13/h1-3H,4-7H2,(H,14,15).
What are the key properties of 2-chloro-3-morpholin-4-ylbenzoic acid?
2-chloro-3-morpholin-4-ylbenzoic acid has a molecular weight of 241.67 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 155573324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).