(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

C13H16ClNO3 — CID 61430706

IUPAC(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClNO3/c1-13(2)8-18-6-5-15(13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyPBUGDLOQVCOLAJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.30
Rot. Bonds1

About (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 61430706) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID61430706
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClNO3/c1-13(2)8-18-6-5-15(13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyPBUGDLOQVCOLAJ-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103627209
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
(2-chloro-5-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61225860
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853
(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 114371991
(3-chloro-2-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 79841343
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
(2-chloro-5-nitro-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103730924
(3-chloro-4-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 82781748
(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 105069397
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103752604
2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110304632

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 61430706) is (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is PBUGDLOQVCOLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(2)8-18-6-5-15(13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 61430706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).