(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone

C14H19NO3 — CID 82793785

IUPAC(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H19NO3/c1-10-11(5-4-6-12(10)16)13(17)15-7-8-18-14(2,3)9-15/h4-6,16H,7-9H2,1-3H3
InChIKeyOBWLVAAEOWEFPK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds1

About (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone

(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82793785) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82793785
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H19NO3/c1-10-11(5-4-6-12(10)16)13(17)15-7-8-18-14(2,3)9-15/h4-6,16H,7-9H2,1-3H3
InChIKeyOBWLVAAEOWEFPK-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
(2,2-dimethylmorpholin-4-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56813848
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43592329
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
(6-amino-2-pyridinyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 55052527
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107872264
(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone
CID 35025063

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone (CID 82793785) is (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is OBWLVAAEOWEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-11(5-4-6-12(10)16)13(17)15-7-8-18-14(2,3)9-15/h4-6,16H,7-9H2,1-3H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82793785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).