2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene

C11H12ClNO3 — CID 57128308

IUPAC2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene
SMILESCC=C(CC)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H12ClNO3/c1-3-9(4-2)16-11-6-5-8(13(14)15)7-10(11)12/h3,5-7H,4H2,1-2H3
InChIKeyQAEMIZCHNFLEES-UHFFFAOYSA-N
MW241.67 g/mol
LogP3.94
Rot. Bonds4

About 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene

2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene (PubChem CID 57128308) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene.

Molecular Properties

Compound Name2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene
PubChem CID57128308
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene
SMILESCC=C(CC)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H12ClNO3/c1-3-9(4-2)16-11-6-5-8(13(14)15)7-10(11)12/h3,5-7H,4H2,1-2H3
InChIKeyQAEMIZCHNFLEES-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 ≤ 500241.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-chloro-4-nitro-2-pent-2-en-3-yloxybenzene
CID 57060162
(2-chloro-4-nitrophenyl) acetate
CID 14345185
ethyl 2-(2-chloro-4-nitrophenoxy)-2-methylpropanoate
CID 17370896
ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate
CID 79356650
3-(2-chloro-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 29015240
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
bis(2-chloro-4-nitrophenyl) hydrogen phosphate
CID 141057226
3-(2-chloro-4-nitrophenoxy)-2-methylpropan-1-ol
CID 115870766
3-(2-chloro-4-nitrophenoxy)-2-methylpropanenitrile
CID 66524971
(2-chloro-4-nitrophenyl) 3,5-difluorobenzoate
CID 8881570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene?
The IUPAC name of 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene (CID 57128308) is 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene.
What is the SMILES notation for 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene?
The canonical SMILES for 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene is CC=C(CC)Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene?
The InChIKey is QAEMIZCHNFLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-3-9(4-2)16-11-6-5-8(13(14)15)7-10(11)12/h3,5-7H,4H2,1-2H3.
What are the key properties of 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene?
2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene has a molecular weight of 241.67 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 2-chloro-4-nitro-1-pent-2-en-3-yloxybenzene is sourced from PubChem (CID 57128308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).