[3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone

C18H19NO3 — CID 1104784

IUPAC[3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19NO3/c1-21-17-7-5-14(6-8-17)15-3-2-4-16(13-15)18(20)19-9-11-22-12-10-19/h2-8,13H,9-12H2,1H3
InChIKeyCBCHHGKWKOINTQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.83
Rot. Bonds3

About [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone

[3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 1104784) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
PubChem CID1104784
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19NO3/c1-21-17-7-5-14(6-8-17)15-3-2-4-16(13-15)18(20)19-9-11-22-12-10-19/h2-8,13H,9-12H2,1H3
InChIKeyCBCHHGKWKOINTQ-UHFFFAOYSA-N
XLogP2.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone (CID 1104784) is [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone is COc1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is CBCHHGKWKOINTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-17-7-5-14(6-8-17)15-3-2-4-16(13-15)18(20)19-9-11-22-12-10-19/h2-8,13H,9-12H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone?
[3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 297.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1104784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).