2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid

C15H21NO4 — CID 22241707

IUPAC2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C15H21NO4/c17-15(18)12-13-2-4-14(5-3-13)20-9-1-6-16-7-10-19-11-8-16/h2-5H,1,6-12H2,(H,17,18)
InChIKeyHSTUIEXJRIDKQR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds7

About 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid

2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid (PubChem CID 22241707) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
PubChem CID22241707
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C15H21NO4/c17-15(18)12-13-2-4-14(5-3-13)20-9-1-6-16-7-10-19-11-8-16/h2-5H,1,6-12H2,(H,17,18)
InChIKeyHSTUIEXJRIDKQR-UHFFFAOYSA-N
XLogP1.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
CID 170886109
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 53231345
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-[4-[7-[13-[7-[4-(4-carboxyphenoxy)carbonylphenoxy]heptyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]heptoxy]benzoyl]oxybenzoic acid
CID 102428299
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid (CID 22241707) is 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid?
The InChIKey is HSTUIEXJRIDKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-15(18)12-13-2-4-14(5-3-13)20-9-1-6-16-7-10-19-11-8-16/h2-5H,1,6-12H2,(H,17,18).
What are the key properties of 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid?
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid is sourced from PubChem (CID 22241707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).