methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate

C14H15N3O4 — CID 175234484

IUPACmethyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate
SMILESCOC(=O)CC(C)Oc1ccc(-c2ncncn2)c(O)c1
InChIInChI=1S/C14H15N3O4/c1-9(5-13(19)20-2)21-10-3-4-11(12(18)6-10)14-16-7-15-8-17-14/h3-4,6-9,18H,5H2,1-2H3
InChIKeyLWSNHSCLGAIGJC-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.57
Rot. Bonds5

About methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate

methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate (PubChem CID 175234484) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate
PubChem CID175234484
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate
SMILESCOC(=O)CC(C)Oc1ccc(-c2ncncn2)c(O)c1
InChIInChI=1S/C14H15N3O4/c1-9(5-13(19)20-2)21-10-3-4-11(12(18)6-10)14-16-7-15-8-17-14/h3-4,6-9,18H,5H2,1-2H3
InChIKeyLWSNHSCLGAIGJC-UHFFFAOYSA-N
XLogP1.57
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate with MolForge

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Related Compounds

ethyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate
CID 174393547
5-methoxy-2-(1,3,5-triazin-2-yl)phenol
CID 142648649
methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
methyl 3-[4-(4-isothiocyanatobenzoyl)phenoxy]butanoate
CID 71538377
methyl 4-(4-hydroxyphenoxy)pentanoate
CID 12919284
methyl 3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanoate
CID 43536243
methyl 2-[4-[4,6-bis[2-hydroxy-4-(1-methoxy-1-oxopropan-2-yl)oxyphenyl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate;methyl 2-[4-[4-[2,4-bis[(1-methoxy-1-oxopropan-2-yl)oxy]phenyl]-6-[2-hydroxy-4-(1-methoxy-1-oxopropan-2-yl)oxyphenyl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 158940080
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
CID 15676624

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate?
The IUPAC name of methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate (CID 175234484) is methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate.
What is the SMILES notation for methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate?
The canonical SMILES for methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate is COC(=O)CC(C)Oc1ccc(-c2ncncn2)c(O)c1.
What is the InChIKey of methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate?
The InChIKey is LWSNHSCLGAIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(5-13(19)20-2)21-10-3-4-11(12(18)6-10)14-16-7-15-8-17-14/h3-4,6-9,18H,5H2,1-2H3.
What are the key properties of methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate?
methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate has a molecular weight of 289.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-hydroxy-4-(1,3,5-triazin-2-yl)phenoxy]butanoate is sourced from PubChem (CID 175234484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).