(4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate

C20H17NO4 — CID 60527723

IUPAC(4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2ccc(Oc3ccccn3)cc2)c1
InChIInChI=1S/C20H17NO4/c1-2-23-18-7-5-6-15(14-18)20(22)25-17-11-9-16(10-12-17)24-19-8-3-4-13-21-19/h3-14H,2H2,1H3
InChIKeyRLDFTOFZFUFWIT-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.49
Rot. Bonds6

About (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate

(4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate (PubChem CID 60527723) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate.

Molecular Properties

Compound Name(4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate
PubChem CID60527723
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2ccc(Oc3ccccn3)cc2)c1
InChIInChI=1S/C20H17NO4/c1-2-23-18-7-5-6-15(14-18)20(22)25-17-11-9-16(10-12-17)24-19-8-3-4-13-21-19/h3-14H,2H2,1H3
InChIKeyRLDFTOFZFUFWIT-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3-ethoxybenzoate
CID 110494824
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(4-benzamidophenyl) 3-ethoxybenzoate
CID 55883088
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
methyl 3-ethoxybenzoate
CID 3267781
N-ethyl-N-phenyl-3-pyridin-2-yloxybenzamide
CID 90596664
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
(4-methoxyphenyl) 3-butoxybenzoate
CID 23012333
(1-bromonaphthalen-2-yl) 3-ethoxybenzoate
CID 23012410
N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate?
The IUPAC name of (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate (CID 60527723) is (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate.
What is the SMILES notation for (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate?
The canonical SMILES for (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate is CCOc1cccc(C(=O)Oc2ccc(Oc3ccccn3)cc2)c1.
What is the InChIKey of (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate?
The InChIKey is RLDFTOFZFUFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-2-23-18-7-5-6-15(14-18)20(22)25-17-11-9-16(10-12-17)24-19-8-3-4-13-21-19/h3-14H,2H2,1H3.
What are the key properties of (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate?
(4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate has a molecular weight of 335.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-yloxyphenyl) 3-ethoxybenzoate is sourced from PubChem (CID 60527723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).