[4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone

C20H23NO4 — CID 1231797

IUPAC[4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-24-18-7-9-19(10-8-18)25-15-16-3-5-17(6-4-16)20(22)21-11-13-23-14-12-21/h3-10H,2,11-15H2,1H3
InChIKeySRVATEPENVALCX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.14
Rot. Bonds6

About [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone

[4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 1231797) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID1231797
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-24-18-7-9-19(10-8-18)25-15-16-3-5-17(6-4-16)20(22)21-11-13-23-14-12-21/h3-10H,2,11-15H2,1H3
InChIKeySRVATEPENVALCX-UHFFFAOYSA-N
XLogP3.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone (CID 1231797) is [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone is CCOc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SRVATEPENVALCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-24-18-7-9-19(10-8-18)25-15-16-3-5-17(6-4-16)20(22)21-11-13-23-14-12-21/h3-10H,2,11-15H2,1H3.
What are the key properties of [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
[4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxyphenoxy)methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1231797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).