(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H13Cl2NO3 — CID 81207971

IUPAC(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCOC(CO)C1
InChIInChI=1S/C12H13Cl2NO3/c13-9-2-1-3-10(14)11(9)12(17)15-4-5-18-8(6-15)7-16/h1-3,8,16H,4-7H2
InChIKeyBEESHUKVXSNHKC-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.83
Rot. Bonds2

About (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81207971) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81207971
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCOC(CO)C1
InChIInChI=1S/C12H13Cl2NO3/c13-9-2-1-3-10(14)11(9)12(17)15-4-5-18-8(6-15)7-16/h1-3,8,16H,4-7H2
InChIKeyBEESHUKVXSNHKC-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

(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81207971) is (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1c(Cl)cccc1Cl)N1CCOC(CO)C1.
What is the InChIKey of (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is BEESHUKVXSNHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-9-2-1-3-10(14)11(9)12(17)15-4-5-18-8(6-15)7-16/h1-3,8,16H,4-7H2.
What are the key properties of (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2,6-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 (2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81207971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).