5-chloro-2-morpholin-2-ylbenzoic acid

C11H12ClNO3 — CID 174949495

IUPAC5-chloro-2-morpholin-2-ylbenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1C1CNCCO1
InChIInChI=1S/C11H12ClNO3/c12-7-1-2-8(9(5-7)11(14)15)10-6-13-3-4-16-10/h1-2,5,10,13H,3-4,6H2,(H,14,15)
InChIKeyQEHBVJCPCWOSTR-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.70
Rot. Bonds2

About 5-chloro-2-morpholin-2-ylbenzoic acid

5-chloro-2-morpholin-2-ylbenzoic acid (PubChem CID 174949495) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 5-chloro-2-morpholin-2-ylbenzoic acid.

Molecular Properties

Compound Name5-chloro-2-morpholin-2-ylbenzoic acid
PubChem CID174949495
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name5-chloro-2-morpholin-2-ylbenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1C1CNCCO1
InChIInChI=1S/C11H12ClNO3/c12-7-1-2-8(9(5-7)11(14)15)10-6-13-3-4-16-10/h1-2,5,10,13H,3-4,6H2,(H,14,15)
InChIKeyQEHBVJCPCWOSTR-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174973424
3-[(2R)-morpholin-2-yl]benzoic acid
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2-(2-chloro-3,6-difluorophenyl)morpholine
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2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
2-chloro-3-fluoro-4-morpholin-2-ylphenol
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2,6-difluoro-4-morpholin-2-ylbenzoic acid
CID 117359158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-2-ylbenzoic acid?
The IUPAC name of 5-chloro-2-morpholin-2-ylbenzoic acid (CID 174949495) is 5-chloro-2-morpholin-2-ylbenzoic acid.
What is the SMILES notation for 5-chloro-2-morpholin-2-ylbenzoic acid?
The canonical SMILES for 5-chloro-2-morpholin-2-ylbenzoic acid is O=C(O)c1cc(Cl)ccc1C1CNCCO1.
What is the InChIKey of 5-chloro-2-morpholin-2-ylbenzoic acid?
The InChIKey is QEHBVJCPCWOSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-7-1-2-8(9(5-7)11(14)15)10-6-13-3-4-16-10/h1-2,5,10,13H,3-4,6H2,(H,14,15).
What are the key properties of 5-chloro-2-morpholin-2-ylbenzoic acid?
5-chloro-2-morpholin-2-ylbenzoic acid has a molecular weight of 241.67 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-morpholin-2-ylbenzoic acid is sourced from PubChem (CID 174949495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).