(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone

C12H13Cl2NO3 — CID 106503111

IUPAC(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCOC(CCl)C1
InChIInChI=1S/C12H13Cl2NO3/c13-6-9-7-15(3-4-18-9)12(17)10-5-8(16)1-2-11(10)14/h1-2,5,9,16H,3-4,6-7H2
InChIKeyDQGZLGWZCJNLJS-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.13
Rot. Bonds2

About (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone

(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone (PubChem CID 106503111) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
PubChem CID106503111
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCOC(CCl)C1
InChIInChI=1S/C12H13Cl2NO3/c13-6-9-7-15(3-4-18-9)12(17)10-5-8(16)1-2-11(10)14/h1-2,5,9,16H,3-4,6-7H2
InChIKeyDQGZLGWZCJNLJS-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-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-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
CID 81210583
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone (CID 106503111) is (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone is O=C(c1cc(O)ccc1Cl)N1CCOC(CCl)C1.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
The InChIKey is DQGZLGWZCJNLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-6-9-7-15(3-4-18-9)12(17)10-5-8(16)1-2-11(10)14/h1-2,5,9,16H,3-4,6-7H2.
What are the key properties of (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone?
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone has a molecular weight of 290.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 106503111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).