2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol

C18H21NO3 — CID 117072124

IUPAC2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol
SMILESCOc1cc(-c2ccc(N3CCOCC3)cc2)cc(C)c1O
InChIInChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyLUWYUXWJRQRONA-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.21
Rot. Bonds3

About 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol

2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol (PubChem CID 117072124) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol
PubChem CID117072124
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol
SMILESCOc1cc(-c2ccc(N3CCOCC3)cc2)cc(C)c1O
InChIInChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyLUWYUXWJRQRONA-UHFFFAOYSA-N
XLogP3.21
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol?
The IUPAC name of 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol (CID 117072124) is 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol.
What is the SMILES notation for 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol?
The canonical SMILES for 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol is COc1cc(-c2ccc(N3CCOCC3)cc2)cc(C)c1O.
What is the InChIKey of 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol?
The InChIKey is LUWYUXWJRQRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol?
2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol has a molecular weight of 299.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(4-morpholin-4-ylphenyl)phenol is sourced from PubChem (CID 117072124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).