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

C13H16ClNO3 — CID 43430913

IUPAC(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)CCO1
InChIInChI=1S/C13H16ClNO3/c1-13(2)8-15(5-6-18-13)12(17)9-3-4-11(16)10(14)7-9/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyPUBFESLOPNYQRN-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.30
Rot. Bonds1

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

(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 43430913) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID43430913
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)CCO1
InChIInChI=1S/C13H16ClNO3/c1-13(2)8-15(5-6-18-13)12(17)9-3-4-11(16)10(14)7-9/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyPUBFESLOPNYQRN-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 (3-chloro-4-hydroxyphenyl)-(2,2-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

(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(3-chloro-4-nitrophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 82781380
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61294351
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(3-chloro-4-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404892
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 43430913) is (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2ccc(O)c(Cl)c2)CCO1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is PUBFESLOPNYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(2)8-15(5-6-18-13)12(17)9-3-4-11(16)10(14)7-9/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(3-chloro-4-hydroxyphenyl)-(2,2-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 (3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43430913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).