[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol

C11H12Cl2N2O4 — CID 104917843

IUPAC[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O4/c12-9-3-7(15(17)18)4-10(13)11(9)14-1-2-19-8(5-14)6-16/h3-4,8,16H,1-2,5-6H2
InChIKeyQEXITHJGXHKVKW-UHFFFAOYSA-N
MW307.13 g/mol
LogP2.10
Rot. Bonds3

About [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol

[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol (PubChem CID 104917843) has the molecular formula C11H12Cl2N2O4 and a molecular weight of 307.13 g/mol. Its IUPAC name is [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
PubChem CID104917843
Molecular FormulaC11H12Cl2N2O4
Molecular Weight307.13 g/mol
Exact Mass306.02
IUPAC Name[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O4/c12-9-3-7(15(17)18)4-10(13)11(9)14-1-2-19-8(5-14)6-16/h3-4,8,16H,1-2,5-6H2
InChIKeyQEXITHJGXHKVKW-UHFFFAOYSA-N
XLogP2.10
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,6-dichloro-4-nitrophenyl)piperidin-4-yl]methanol
CID 103952600
[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81193435
(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
CID 103952620
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
2-[4-(2-chloro-4-nitrophenyl)morpholin-2-yl]acetic acid
CID 66435372
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
CID 81219753
[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 79833713
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
[2-(hydroxymethyl)morpholin-4-yl]-(4-nitro-1H-pyrrol-2-yl)methanone
CID 79831471
1-(2,6-dichloro-4-nitrophenyl)piperidine-3-carboxylic acid
CID 106891078
4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrobenzoic acid
CID 81204138
3-[2-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 104720129

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol (CID 104917843) is [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol is O=[N+]([O-])c1cc(Cl)c(N2CCOC(CO)C2)c(Cl)c1.
What is the InChIKey of [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol?
The InChIKey is QEXITHJGXHKVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O4/c12-9-3-7(15(17)18)4-10(13)11(9)14-1-2-19-8(5-14)6-16/h3-4,8,16H,1-2,5-6H2.
What are the key properties of [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol?
[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol has a molecular weight of 307.13 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 104917843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).