1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene

C10H11Cl2NO3 — CID 10332995

IUPAC1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene
SMILESCC(C)COc1c([N+](=O)[O-])ccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-6(2)5-16-10-8(13(14)15)4-3-7(11)9(10)12/h3-4,6H,5H2,1-2H3
InChIKeyCFQMTVPSSSBFTI-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.94
Rot. Bonds4

About 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene

1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene (PubChem CID 10332995) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene
PubChem CID10332995
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene
SMILESCC(C)COc1c([N+](=O)[O-])ccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-6(2)5-16-10-8(13(14)15)4-3-7(11)9(10)12/h3-4,6H,5H2,1-2H3
InChIKeyCFQMTVPSSSBFTI-UHFFFAOYSA-N
XLogP3.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,2,4-trichloro-3-(2-methylpropoxy)benzene
CID 91732249
1,3-difluoro-2-(2-methylpropoxy)-4-nitrobenzene
CID 125116639
1,2-dichloro-3-ethyl-4-nitrobenzene
CID 66639996
1-chloro-3-(2-methylpropoxy)-2-nitrobenzene
CID 104835274
2-chloro-4-(2-methylpropoxy)-5-nitrobenzonitrile
CID 112756923
2,4-difluoro-1-methyl-3-(2-methylpropoxy)-5-nitrobenzene
CID 125115915
5-(2-methylpropoxy)-2-nitrobenzaldehyde
CID 21469084
4-chloro-2-[2-(2-methylpropoxy)ethoxy]-1-nitrobenzene
CID 106459961
1-chloro-2-fluoro-3-methoxy-4-nitrobenzene
CID 130615182
1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
(4Z)-2-(4-chloro-3-nitrophenyl)-4-[[3,5-dibromo-4-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 19662637
2-(2-methylpropoxy)-6-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 140961356

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene?
The IUPAC name of 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene (CID 10332995) is 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene.
What is the SMILES notation for 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene?
The canonical SMILES for 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene is CC(C)COc1c([N+](=O)[O-])ccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene?
The InChIKey is CFQMTVPSSSBFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-6(2)5-16-10-8(13(14)15)4-3-7(11)9(10)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene?
1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene has a molecular weight of 264.11 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2-methylpropoxy)-4-nitrobenzene is sourced from PubChem (CID 10332995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).