1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol

C9H9Cl2NO4 — CID 65278078

IUPAC1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
SMILESCC(O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H9Cl2NO4/c1-5(13)4-16-9-7(10)2-6(12(14)15)3-8(9)11/h2-3,5,13H,4H2,1H3
InChIKeyBXRMPVOKCOTVGZ-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.66
Rot. Bonds4

About 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol

1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol (PubChem CID 65278078) has the molecular formula C9H9Cl2NO4 and a molecular weight of 266.08 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
PubChem CID65278078
Molecular FormulaC9H9Cl2NO4
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
SMILESCC(O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H9Cl2NO4/c1-5(13)4-16-9-7(10)2-6(12(14)15)3-8(9)11/h2-3,5,13H,4H2,1H3
InChIKeyBXRMPVOKCOTVGZ-UHFFFAOYSA-N
XLogP2.66
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 115476077
3-(2,6-dichloro-4-nitrophenoxy)-2-(propan-2-ylamino)propanamide
CID 62100169
1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
CID 90679727
(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol
CID 139508595
1,3-dichloro-2-(3,3-diethoxypropoxy)-5-nitrobenzene
CID 63629148
acetic acid;2-(2,6-dichloro-4-nitrophenoxy)acetonitrile
CID 162332755
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733
(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
CID 106933183
methyl 4-(2,6-dichloro-4-nitrophenoxy)-2-(methylamino)butanoate
CID 63035666
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
1-(2-bromo-5-nitrophenoxy)propan-2-ol
CID 103011922

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol (CID 65278078) is 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol is CC(O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol?
The InChIKey is BXRMPVOKCOTVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4/c1-5(13)4-16-9-7(10)2-6(12(14)15)3-8(9)11/h2-3,5,13H,4H2,1H3.
What are the key properties of 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol?
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol has a molecular weight of 266.08 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 65278078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).