2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene

C13H15Cl2NO3 — CID 66343707

IUPAC2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene
SMILESCCC1(C)C(Cl)CC1Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-3-13(2)11(15)7-12(13)19-8-4-5-10(16(17)18)9(14)6-8/h4-6,11-12H,3,7H2,1-2H3
InChIKeyDLWRDUATJJYBHO-UHFFFAOYSA-N
MW304.17 g/mol
LogP4.42
Rot. Bonds4

About 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene

2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene (PubChem CID 66343707) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene
PubChem CID66343707
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene
SMILESCCC1(C)C(Cl)CC1Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-3-13(2)11(15)7-12(13)19-8-4-5-10(16(17)18)9(14)6-8/h4-6,11-12H,3,7H2,1-2H3
InChIKeyDLWRDUATJJYBHO-UHFFFAOYSA-N
XLogP4.42
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

3-(3-chloro-4-nitrophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66352213
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737
3-(3-chloro-4-nitrophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 104674795
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-nitrobenzene
CID 66343582
2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 66357396
3-(3-chloro-4-nitrophenoxy)cyclobutan-1-one
CID 66366433
1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
CID 66345395
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-3-nitrobenzene
CID 66346535
3-(4-chloro-2-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66359421
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641
4-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-2-ethylbenzene
CID 66343875
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene?
The IUPAC name of 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene (CID 66343707) is 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene.
What is the SMILES notation for 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene?
The canonical SMILES for 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene is CCC1(C)C(Cl)CC1Oc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene?
The InChIKey is DLWRDUATJJYBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-3-13(2)11(15)7-12(13)19-8-4-5-10(16(17)18)9(14)6-8/h4-6,11-12H,3,7H2,1-2H3.
What are the key properties of 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene?
2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene has a molecular weight of 304.17 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene is sourced from PubChem (CID 66343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).