methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate

C16H17NO4 — CID 174658028

IUPACmethyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2cccnc2)cc(OC(C)C)c1
InChIInChI=1S/C16H17NO4/c1-11(2)20-14-7-12(16(18)19-3)8-15(9-14)21-13-5-4-6-17-10-13/h4-11H,1-3H3
InChIKeyLRLOLHSJQOIWRJ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.45
Rot. Bonds5

About methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate

methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate (PubChem CID 174658028) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
PubChem CID174658028
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namemethyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2cccnc2)cc(OC(C)C)c1
InChIInChI=1S/C16H17NO4/c1-11(2)20-14-7-12(16(18)19-3)8-15(9-14)21-13-5-4-6-17-10-13/h4-11H,1-3H3
InChIKeyLRLOLHSJQOIWRJ-UHFFFAOYSA-N
XLogP3.45
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate
CID 174658036
methyl 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzoate
CID 59649315
methyl 3-(4-nitrophenoxy)-5-propan-2-yloxybenzoate
CID 58528840
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate
CID 88861682
(111C)methyl pyridine-3-carboxylate
CID 11309537
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
[(E)-[amino(pyridin-3-yl)methylidene]amino] 3-propan-2-yloxybenzoate
CID 8779173
methyl 3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzoate
CID 59475115
CID 22254315
CID 22254315

Frequently Asked Questions

What is the IUPAC name of methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate?
The IUPAC name of methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate (CID 174658028) is methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate.
What is the SMILES notation for methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate?
The canonical SMILES for methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate is COC(=O)c1cc(Oc2cccnc2)cc(OC(C)C)c1.
What is the InChIKey of methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate?
The InChIKey is LRLOLHSJQOIWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11(2)20-14-7-12(16(18)19-3)8-15(9-14)21-13-5-4-6-17-10-13/h4-11H,1-3H3.
What are the key properties of methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate?
methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate has a molecular weight of 287.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate is sourced from PubChem (CID 174658028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).