(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate

C22H21NO4 — CID 56508118

IUPAC(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)OCc2ccccc2Oc2cccnc2)ccc1C
InChIInChI=1S/C22H21NO4/c1-16-9-10-17(12-21(16)25-2)13-22(24)26-15-18-6-3-4-8-20(18)27-19-7-5-11-23-14-19/h3-12,14H,13,15H2,1-2H3
InChIKeyWFVDBIQRLNVHPA-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.48
Rot. Bonds7

About (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate

(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate (PubChem CID 56508118) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate.

Molecular Properties

Compound Name(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate
PubChem CID56508118
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)OCc2ccccc2Oc2cccnc2)ccc1C
InChIInChI=1S/C22H21NO4/c1-16-9-10-17(12-21(16)25-2)13-22(24)26-15-18-6-3-4-8-20(18)27-19-7-5-11-23-14-19/h3-12,14H,13,15H2,1-2H3
InChIKeyWFVDBIQRLNVHPA-UHFFFAOYSA-N
XLogP4.48
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate?
The IUPAC name of (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate (CID 56508118) is (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate.
What is the SMILES notation for (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate?
The canonical SMILES for (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate is COc1cc(CC(=O)OCc2ccccc2Oc2cccnc2)ccc1C.
What is the InChIKey of (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate?
The InChIKey is WFVDBIQRLNVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-16-9-10-17(12-21(16)25-2)13-22(24)26-15-18-6-3-4-8-20(18)27-19-7-5-11-23-14-19/h3-12,14H,13,15H2,1-2H3.
What are the key properties of (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate?
(2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate has a molecular weight of 363.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-yloxyphenyl)methyl 2-(3-methoxy-4-methylphenyl)acetate is sourced from PubChem (CID 56508118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).