2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride

C12H16ClNO4 — CID 69296468

IUPAC2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCOCC2)cc1O
InChIInChI=1S/C12H15NO4.ClH/c14-11-7-9(1-2-10(11)12(15)16)8-13-3-5-17-6-4-13;/h1-2,7,14H,3-6,8H2,(H,15,16);1H
InChIKeyQVBKXPZDEFAVMH-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.34
Rot. Bonds3

About 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride

2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride (PubChem CID 69296468) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
PubChem CID69296468
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCOCC2)cc1O
InChIInChI=1S/C12H15NO4.ClH/c14-11-7-9(1-2-10(11)12(15)16)8-13-3-5-17-6-4-13;/h1-2,7,14H,3-6,8H2,(H,15,16);1H
InChIKeyQVBKXPZDEFAVMH-UHFFFAOYSA-N
XLogP1.34
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 87227519
4-bromo-2-hydroxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 66611704
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone
CID 73011711
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide
CID 135269511
methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
CID 58137671
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride?
The IUPAC name of 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride (CID 69296468) is 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride.
What is the SMILES notation for 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride?
The canonical SMILES for 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride is Cl.O=C(O)c1ccc(CN2CCOCC2)cc1O.
What is the InChIKey of 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride?
The InChIKey is QVBKXPZDEFAVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4.ClH/c14-11-7-9(1-2-10(11)12(15)16)8-13-3-5-17-6-4-13;/h1-2,7,14H,3-6,8H2,(H,15,16);1H.
What are the key properties of 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride?
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride is sourced from PubChem (CID 69296468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).