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

C14H19NO3 — CID 103865329

IUPAC(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCOCC1(C)C
InChIInChI=1S/C14H19NO3/c1-10-8-11(16)4-5-12(10)13(17)15-6-7-18-9-14(15,2)3/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyUHBPHWMQTFCQJQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds1

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

(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 103865329) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
PubChem CID103865329
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCOCC1(C)C
InChIInChI=1S/C14H19NO3/c1-10-8-11(16)4-5-12(10)13(17)15-6-7-18-9-14(15,2)3/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyUHBPHWMQTFCQJQ-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

(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416
(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61430706
(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103627209
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853
(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 114371991
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
(2-chloro-5-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61225860
(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 105069397
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103752604
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone (CID 103865329) is (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCOCC1(C)C.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is UHBPHWMQTFCQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-8-11(16)4-5-12(10)13(17)15-6-7-18-9-14(15,2)3/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone?
(3,3-dimethylmorpholin-4-yl)-(4-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 (3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 103865329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).