[5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone

C18H20ClNO6 — CID 19701552

IUPAC[5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
SMILESCCOc1cc(OCOC)c(C(=O)c2ncccc2OCOC)cc1Cl
InChIInChI=1S/C18H20ClNO6/c1-4-24-16-9-15(26-11-23-3)12(8-13(16)19)18(21)17-14(25-10-22-2)6-5-7-20-17/h5-9H,4,10-11H2,1-3H3
InChIKeyCIYCNXNIMPOWFX-UHFFFAOYSA-N
MW381.81 g/mol
LogP3.33
Rot. Bonds10

About [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone

[5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone (PubChem CID 19701552) has the molecular formula C18H20ClNO6 and a molecular weight of 381.81 g/mol. Its IUPAC name is [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
PubChem CID19701552
Molecular FormulaC18H20ClNO6
Molecular Weight381.81 g/mol
Exact Mass381.10
IUPAC Name[5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
SMILESCCOc1cc(OCOC)c(C(=O)c2ncccc2OCOC)cc1Cl
InChIInChI=1S/C18H20ClNO6/c1-4-24-16-9-15(26-11-23-3)12(8-13(16)19)18(21)17-14(25-10-22-2)6-5-7-20-17/h5-9H,4,10-11H2,1-3H3
InChIKeyCIYCNXNIMPOWFX-UHFFFAOYSA-N
XLogP3.33
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
The IUPAC name of [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone (CID 19701552) is [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
The canonical SMILES for [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone is CCOc1cc(OCOC)c(C(=O)c2ncccc2OCOC)cc1Cl.
What is the InChIKey of [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
The InChIKey is CIYCNXNIMPOWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO6/c1-4-24-16-9-15(26-11-23-3)12(8-13(16)19)18(21)17-14(25-10-22-2)6-5-7-20-17/h5-9H,4,10-11H2,1-3H3.
What are the key properties of [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
[5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone has a molecular weight of 381.81 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-ethoxy-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 19701552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).