2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene

C14H12ClNO4 — CID 56650404

IUPAC2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1-c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClNO4/c1-19-12-4-3-5-13(20-2)14(12)10-7-6-9(15)8-11(10)16(17)18/h3-8H,1-2H3
InChIKeyZCVAYXHUEIDNKV-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene

2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene (PubChem CID 56650404) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene
PubChem CID56650404
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1-c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClNO4/c1-19-12-4-3-5-13(20-2)14(12)10-7-6-9(15)8-11(10)16(17)18/h3-8H,1-2H3
InChIKeyZCVAYXHUEIDNKV-UHFFFAOYSA-N
XLogP3.93
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.93
H-Bond Donors ≤ 50
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

4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
CID 121437434
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
5-chloro-N-[(2,6-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 68546575
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
(2-formyl-6-methoxyphenyl) 4-chloro-2-nitrobenzoate
CID 802015
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
1-(4-chloro-2-methoxy-6-nitrophenyl)ethanone
CID 171009212
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene (CID 56650404) is 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene is COc1cccc(OC)c1-c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene?
The InChIKey is ZCVAYXHUEIDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-12-4-3-5-13(20-2)14(12)10-7-6-9(15)8-11(10)16(17)18/h3-8H,1-2H3.
What are the key properties of 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene?
2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene has a molecular weight of 293.71 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 56650404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).