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

C13H10ClNO3 — CID 2210667

IUPAC2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C13H10ClNO3/c1-9-2-5-11(6-3-9)18-13-7-4-10(15(16)17)8-12(13)14/h2-8H,1H3
InChIKeyMRIFHWHFLSCPAT-UHFFFAOYSA-N
MW263.68 g/mol
LogP4.35
Rot. Bonds3

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

2-chloro-1-(4-methylphenoxy)-4-nitrobenzene (PubChem CID 2210667) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene.

Molecular Properties

Compound Name2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
PubChem CID2210667
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C13H10ClNO3/c1-9-2-5-11(6-3-9)18-13-7-4-10(15(16)17)8-12(13)14/h2-8H,1H3
InChIKeyMRIFHWHFLSCPAT-UHFFFAOYSA-N
XLogP4.35
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 54.35
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

2-bromo-1-(2-chloro-4-nitrophenoxy)-4-methylbenzene
CID 29032684
2-[4-(2-chloro-4-nitrophenoxy)phenoxy]propanoic acid
CID 70626116
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
5-(2-chloro-4-nitrophenoxy)-2-nitroaniline
CID 106752023
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
1-[3-chloro-4-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81155419
1-chloro-2-(2,4-dinitrophenoxy)-4-methylbenzene
CID 9111258
2-chloro-1-[4-[(2-methoxyphenoxy)methyl]phenoxy]-4-nitrobenzene
CID 1313653
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene?
The IUPAC name of 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene (CID 2210667) is 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene.
What is the SMILES notation for 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene?
The canonical SMILES for 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene is Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene?
The InChIKey is MRIFHWHFLSCPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-9-2-5-11(6-3-9)18-13-7-4-10(15(16)17)8-12(13)14/h2-8H,1H3.
What are the key properties of 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene?
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene has a molecular weight of 263.68 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-methylphenoxy)-4-nitrobenzene is sourced from PubChem (CID 2210667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).