butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate

C18H21NO4 — CID 159281133

IUPACbutyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate
SMILESCCCCOC(=O)COc1ccc(Oc2ccc(C)cn2)cc1
InChIInChI=1S/C18H21NO4/c1-3-4-11-21-18(20)13-22-15-6-8-16(9-7-15)23-17-10-5-14(2)12-19-17/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyABUOFUCGFBBBGL-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.90
Rot. Bonds8

About butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate

butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate (PubChem CID 159281133) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate.

Molecular Properties

Compound Namebutyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate
PubChem CID159281133
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namebutyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate
SMILESCCCCOC(=O)COc1ccc(Oc2ccc(C)cn2)cc1
InChIInChI=1S/C18H21NO4/c1-3-4-11-21-18(20)13-22-15-6-8-16(9-7-15)23-17-10-5-14(2)12-19-17/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyABUOFUCGFBBBGL-UHFFFAOYSA-N
XLogP3.90
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
butyl 2-[(6-formyl-3-pyridinyl)oxy]acetate
CID 79794234
2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
CID 82532372
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
ethyl 4-[(5-methyl-2-pyridinyl)oxy]butanoate
CID 58878874
2-(4-butoxyphenoxy)acetamide
CID 22974475
propyl 2-(4-tributylstannylphenoxy)acetate
CID 22503207
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
CID 76852280
butyl 2-(2-bromo-4-methylphenoxy)acetate
CID 54940989
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655

Frequently Asked Questions

What is the IUPAC name of butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate?
The IUPAC name of butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate (CID 159281133) is butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate.
What is the SMILES notation for butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate?
The canonical SMILES for butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate is CCCCOC(=O)COc1ccc(Oc2ccc(C)cn2)cc1.
What is the InChIKey of butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate?
The InChIKey is ABUOFUCGFBBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-3-4-11-21-18(20)13-22-15-6-8-16(9-7-15)23-17-10-5-14(2)12-19-17/h5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate?
butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate has a molecular weight of 315.37 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate is sourced from PubChem (CID 159281133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).