(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate

C20H17NO4 — CID 60588638

IUPAC(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
SMILESCOc1ccc(COC(=O)c2ccc(Oc3cccnc3)cc2)cc1
InChIInChI=1S/C20H17NO4/c1-23-17-8-4-15(5-9-17)14-24-20(22)16-6-10-18(11-7-16)25-19-3-2-12-21-13-19/h2-13H,14H2,1H3
InChIKeyCGIJUOQJHUNKMD-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.24
Rot. Bonds6

About (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate

(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate (PubChem CID 60588638) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
PubChem CID60588638
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
SMILESCOc1ccc(COC(=O)c2ccc(Oc3cccnc3)cc2)cc1
InChIInChI=1S/C20H17NO4/c1-23-17-8-4-15(5-9-17)14-24-20(22)16-6-10-18(11-7-16)25-19-3-2-12-21-13-19/h2-13H,14H2,1H3
InChIKeyCGIJUOQJHUNKMD-UHFFFAOYSA-N
XLogP4.24
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate
CID 166189427
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
4-pyridin-3-yloxybenzoic acid
CID 22261667
(4-pyridin-3-yloxyphenyl)methyl 7-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 166189756
(4-methoxyphenyl)methyl 6-oxo-1H-pyridine-3-carboxylate
CID 47143064
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
benzyl 4-[4-(4-methoxyphenyl)butanoyl]benzoate
CID 166440320

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate?
The IUPAC name of (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate (CID 60588638) is (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate is COc1ccc(COC(=O)c2ccc(Oc3cccnc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate?
The InChIKey is CGIJUOQJHUNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-23-17-8-4-15(5-9-17)14-24-20(22)16-6-10-18(11-7-16)25-19-3-2-12-21-13-19/h2-13H,14H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate?
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate has a molecular weight of 335.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate is sourced from PubChem (CID 60588638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).