methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate

C16H17NO3 — CID 175047975

IUPACmethyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2cncc(O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-16(2,15(19)20-3)13-6-4-11(5-7-13)12-8-14(18)10-17-9-12/h4-10,18H,1-3H3
InChIKeySAPSQDPVGYFNKO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.90
Rot. Bonds3

About methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate

methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate (PubChem CID 175047975) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate
PubChem CID175047975
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2cncc(O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-16(2,15(19)20-3)13-6-4-11(5-7-13)12-8-14(18)10-17-9-12/h4-10,18H,1-3H3
InChIKeySAPSQDPVGYFNKO-UHFFFAOYSA-N
XLogP2.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate (CID 175047975) is methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(-c2cncc(O)c2)cc1.
What is the InChIKey of methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate?
The InChIKey is SAPSQDPVGYFNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(2,15(19)20-3)13-6-4-11(5-7-13)12-8-14(18)10-17-9-12/h4-10,18H,1-3H3.
What are the key properties of methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate?
methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate has a molecular weight of 271.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-hydroxy-3-pyridinyl)phenyl]-2-methylpropanoate is sourced from PubChem (CID 175047975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).