(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H13BrClNO3 — CID 113330305

IUPAC(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)N1CCOC(CO)C1
InChIInChI=1S/C12H13BrClNO3/c13-10-5-8(1-2-11(10)14)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyIPIHRPPIQCJSIO-UHFFFAOYSA-N
MW334.60 g/mol
LogP1.94
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 113330305) has the molecular formula C12H13BrClNO3 and a molecular weight of 334.60 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID113330305
Molecular FormulaC12H13BrClNO3
Molecular Weight334.60 g/mol
Exact Mass332.98
IUPAC Name(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)N1CCOC(CO)C1
InChIInChI=1S/C12H13BrClNO3/c13-10-5-8(1-2-11(10)14)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7H2
InChIKeyIPIHRPPIQCJSIO-UHFFFAOYSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
4-(3-bromo-4-chlorobenzoyl)morpholine-2-carbothioamide
CID 107999080
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113277915
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 113330305) is (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1ccc(Cl)c(Br)c1)N1CCOC(CO)C1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is IPIHRPPIQCJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO3/c13-10-5-8(1-2-11(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-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 334.60 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 113330305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).