(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone

C13H17NO3 — CID 42928657

IUPAC(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCc1cccc(C(=O)N2CCOC(C)C2)c1O
InChIInChI=1S/C13H17NO3/c1-9-4-3-5-11(12(9)15)13(16)14-6-7-17-10(2)8-14/h3-5,10,15H,6-8H2,1-2H3
InChIKeyQIXOYWLHKUPQJX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.56
Rot. Bonds1

About (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone

(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 42928657) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID42928657
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCc1cccc(C(=O)N2CCOC(C)C2)c1O
InChIInChI=1S/C13H17NO3/c1-9-4-3-5-11(12(9)15)13(16)14-6-7-17-10(2)8-14/h3-5,10,15H,6-8H2,1-2H3
InChIKeyQIXOYWLHKUPQJX-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
(2-hydroxy-3-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63527838
[2-bromo-3-(trifluoromethyl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647312
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 79885901

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone (CID 42928657) is (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone is Cc1cccc(C(=O)N2CCOC(C)C2)c1O.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is QIXOYWLHKUPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-3-5-11(12(9)15)13(16)14-6-7-17-10(2)8-14/h3-5,10,15H,6-8H2,1-2H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone?
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 42928657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).