methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate

C22H21NO4 — CID 70031981

IUPACmethyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate
SMILESCOC(=O)c1c(CCO)cccc1-c1ccc(-c2cncc(OC)c2)cc1
InChIInChI=1S/C22H21NO4/c1-26-19-12-18(13-23-14-19)15-6-8-16(9-7-15)20-5-3-4-17(10-11-24)21(20)22(25)27-2/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyIALXMYHACZSXDO-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.75
Rot. Bonds6

About methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate

methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate (PubChem CID 70031981) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate
PubChem CID70031981
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namemethyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate
SMILESCOC(=O)c1c(CCO)cccc1-c1ccc(-c2cncc(OC)c2)cc1
InChIInChI=1S/C22H21NO4/c1-26-19-12-18(13-23-14-19)15-6-8-16(9-7-15)20-5-3-4-17(10-11-24)21(20)22(25)27-2/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyIALXMYHACZSXDO-UHFFFAOYSA-N
XLogP3.75
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
methyl 4-[4-(5-ethoxy-3-pyridinyl)phenyl]benzoate
CID 171698039
[5-(4-ethylphenyl)-3-pyridinyl] methyl carbonate
CID 66701422
methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
CID 177480040
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
3-[3-[[(2R)-2-cyclopentyl-2-[4-(5-methoxy-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid
CID 121417074
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
2-[2-(3-methoxyphenyl)-3-pyridinyl]ethanol
CID 117001607
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
methyl 4-[2-(2-aminoethyl)phenyl]benzoate
CID 1393592
2-[4-(5-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 176500625

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate?
The IUPAC name of methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate (CID 70031981) is methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate.
What is the SMILES notation for methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate?
The canonical SMILES for methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate is COC(=O)c1c(CCO)cccc1-c1ccc(-c2cncc(OC)c2)cc1.
What is the InChIKey of methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate?
The InChIKey is IALXMYHACZSXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-26-19-12-18(13-23-14-19)15-6-8-16(9-7-15)20-5-3-4-17(10-11-24)21(20)22(25)27-2/h3-9,12-14,24H,10-11H2,1-2H3.
What are the key properties of methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate?
methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate has a molecular weight of 363.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyethyl)-6-[4-(5-methoxy-3-pyridinyl)phenyl]benzoate is sourced from PubChem (CID 70031981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).