2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid

C14H19NO4 — CID 82165954

IUPAC2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
SMILESCc1ccc(OCCN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-11-2-3-12(10-13(11)14(16)17)19-9-6-15-4-7-18-8-5-15/h2-3,10H,4-9H2,1H3,(H,16,17)
InChIKeyYKLQWMVRHHNYAE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds5

About 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid

2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid (PubChem CID 82165954) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
PubChem CID82165954
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
SMILESCc1ccc(OCCN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-11-2-3-12(10-13(11)14(16)17)19-9-6-15-4-7-18-8-5-15/h2-3,10H,4-9H2,1H3,(H,16,17)
InChIKeyYKLQWMVRHHNYAE-UHFFFAOYSA-N
XLogP1.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 143419572
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58279088
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid?
The IUPAC name of 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid (CID 82165954) is 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid.
What is the SMILES notation for 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid?
The canonical SMILES for 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid is Cc1ccc(OCCN2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid?
The InChIKey is YKLQWMVRHHNYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11-2-3-12(10-13(11)14(16)17)19-9-6-15-4-7-18-8-5-15/h2-3,10H,4-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid?
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid is sourced from PubChem (CID 82165954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).