1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene

C14H12ClNO3 — CID 91404265

IUPAC1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene
SMILESCCOc1ccccc1-c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H12ClNO3/c1-2-19-14-6-4-3-5-11(14)12-9-10(16(17)18)7-8-13(12)15/h3-9H,2H2,1H3
InChIKeyVOFIYTASAKIBNW-UHFFFAOYSA-N
MW277.71 g/mol
LogP4.31
Rot. Bonds4

About 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene

1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene (PubChem CID 91404265) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene
PubChem CID91404265
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene
SMILESCCOc1ccccc1-c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H12ClNO3/c1-2-19-14-6-4-3-5-11(14)12-9-10(16(17)18)7-8-13(12)15/h3-9H,2H2,1H3
InChIKeyVOFIYTASAKIBNW-UHFFFAOYSA-N
XLogP4.31
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 54.31
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-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
methyl 2-[2-(2-chlorophenyl)-4-nitrophenoxy]acetate
CID 165352732
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673
1-[2-(2-chloro-5-nitrophenoxy)phenyl]propan-1-amine
CID 115995697
2-chloro-1-(2-chloro-5-nitrophenyl)-3-nitrobenzene
CID 171785769
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
ethyl 4-(2-chloro-5-nitrophenyl)benzoate
CID 59822393
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
N-(2-ethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1300340

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene?
The IUPAC name of 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene (CID 91404265) is 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene.
What is the SMILES notation for 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene?
The canonical SMILES for 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene is CCOc1ccccc1-c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene?
The InChIKey is VOFIYTASAKIBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-2-19-14-6-4-3-5-11(14)12-9-10(16(17)18)7-8-13(12)15/h3-9H,2H2,1H3.
What are the key properties of 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene?
1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene has a molecular weight of 277.71 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene is sourced from PubChem (CID 91404265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).