2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine

C21H27NO3 — CID 23458442

IUPAC2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
SMILESCOc1ccccc1C(Oc1ccccc1)C1CN(C(C)C)CCO1
InChIInChI=1S/C21H27NO3/c1-16(2)22-13-14-24-20(15-22)21(25-17-9-5-4-6-10-17)18-11-7-8-12-19(18)23-3/h4-12,16,20-21H,13-15H2,1-3H3
InChIKeySWLHPGQLRODKRI-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.92
Rot. Bonds6

About 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine

2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine (PubChem CID 23458442) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
PubChem CID23458442
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
SMILESCOc1ccccc1C(Oc1ccccc1)C1CN(C(C)C)CCO1
InChIInChI=1S/C21H27NO3/c1-16(2)22-13-14-24-20(15-22)21(25-17-9-5-4-6-10-17)18-11-7-8-12-19(18)23-3/h4-12,16,20-21H,13-15H2,1-3H3
InChIKeySWLHPGQLRODKRI-UHFFFAOYSA-N
XLogP3.92
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine (CID 23458442) is 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine is COc1ccccc1C(Oc1ccccc1)C1CN(C(C)C)CCO1.
What is the InChIKey of 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
The InChIKey is SWLHPGQLRODKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16(2)22-13-14-24-20(15-22)21(25-17-9-5-4-6-10-17)18-11-7-8-12-19(18)23-3/h4-12,16,20-21H,13-15H2,1-3H3.
What are the key properties of 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine?
2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine has a molecular weight of 341.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 23458442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).