4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid

C12H14BrNO4 — CID 66611704

IUPAC4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid
SMILESO=C(O)c1cc(CN2CCOCC2)c(Br)cc1O
InChIInChI=1S/C12H14BrNO4/c13-10-6-11(15)9(12(16)17)5-8(10)7-14-1-3-18-4-2-14/h5-6,15H,1-4,7H2,(H,16,17)
InChIKeyLEYBDRLWAJORTD-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.69
Rot. Bonds3

About 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid

4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid (PubChem CID 66611704) has the molecular formula C12H14BrNO4 and a molecular weight of 316.15 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid
PubChem CID66611704
Molecular FormulaC12H14BrNO4
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid
SMILESO=C(O)c1cc(CN2CCOCC2)c(Br)cc1O
InChIInChI=1S/C12H14BrNO4/c13-10-6-11(15)9(12(16)17)5-8(10)7-14-1-3-18-4-2-14/h5-6,15H,1-4,7H2,(H,16,17)
InChIKeyLEYBDRLWAJORTD-UHFFFAOYSA-N
XLogP1.69
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(morpholin-4-ylmethyl)-2-phenylmethoxybenzoic acid
CID 66611351
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
CID 131887032
CID 131887032
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
CID 70622393
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
5-bromo-2-hydroxy-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)benzaldehyde
CID 100998969
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid?
The IUPAC name of 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid (CID 66611704) is 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid.
What is the SMILES notation for 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid?
The canonical SMILES for 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid is O=C(O)c1cc(CN2CCOCC2)c(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid?
The InChIKey is LEYBDRLWAJORTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4/c13-10-6-11(15)9(12(16)17)5-8(10)7-14-1-3-18-4-2-14/h5-6,15H,1-4,7H2,(H,16,17).
What are the key properties of 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid?
4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid has a molecular weight of 316.15 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid is sourced from PubChem (CID 66611704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).