(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H13Cl2NO3 — CID 81207977

IUPAC(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCOC(CO)C1
InChIInChI=1S/C12H13Cl2NO3/c13-10-2-1-8(5-11(10)14)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyQJOKVZHAIJGENX-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.83
Rot. Bonds2

About (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81207977) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81207977
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCOC(CO)C1
InChIInChI=1S/C12H13Cl2NO3/c13-10-2-1-8(5-11(10)14)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyQJOKVZHAIJGENX-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113277915
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea
CID 10114305
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66604875
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
[2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-nitrophenyl)methanone
CID 81208302

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81207977) is (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCOC(CO)C1.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is QJOKVZHAIJGENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-10-2-1-8(5-11(10)14)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2.
What are the key properties of (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 290.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81207977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).