1,4-dimethyl-2-(4-nitrophenoxy)benzene

C14H13NO3 — CID 22164458

IUPAC1,4-dimethyl-2-(4-nitrophenoxy)benzene
SMILESCc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13NO3/c1-10-3-4-11(2)14(9-10)18-13-7-5-12(6-8-13)15(16)17/h3-9H,1-2H3
InChIKeyODMGBPWZDRGWPT-UHFFFAOYSA-N
MW243.26 g/mol
LogP4.00
Rot. Bonds3

About 1,4-dimethyl-2-(4-nitrophenoxy)benzene

1,4-dimethyl-2-(4-nitrophenoxy)benzene (PubChem CID 22164458) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1,4-dimethyl-2-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(4-nitrophenoxy)benzene
PubChem CID22164458
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1,4-dimethyl-2-(4-nitrophenoxy)benzene
SMILESCc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13NO3/c1-10-3-4-11(2)14(9-10)18-13-7-5-12(6-8-13)15(16)17/h3-9H,1-2H3
InChIKeyODMGBPWZDRGWPT-UHFFFAOYSA-N
XLogP4.00
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 54.00
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

4-methyl-2-(4-nitrophenoxy)-1-propan-2-ylbenzene
CID 766292
N-methyl-1-[4-methyl-3-(4-nitrophenoxy)phenyl]methanamine
CID 105407116
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
2-[4-(chloromethyl)phenoxy]-1-methyl-4-nitrobenzene
CID 63566428
(1S)-1-[4-(2-methyl-5-nitrophenoxy)phenyl]ethanamine
CID 63370156
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
2,4-dichloro-1,3-dimethyl-5-(4-nitrophenoxy)benzene
CID 2797579
2-methyl-4-(2-methyl-5-nitrophenoxy)benzonitrile
CID 81282527
1-[4-(2,5-dimethylphenoxy)-2-nitrophenyl]ethanone
CID 104529803
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
N-[[4-(2-methyl-5-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031171

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(4-nitrophenoxy)benzene?
The IUPAC name of 1,4-dimethyl-2-(4-nitrophenoxy)benzene (CID 22164458) is 1,4-dimethyl-2-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(4-nitrophenoxy)benzene?
The canonical SMILES for 1,4-dimethyl-2-(4-nitrophenoxy)benzene is Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 1,4-dimethyl-2-(4-nitrophenoxy)benzene?
The InChIKey is ODMGBPWZDRGWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-3-4-11(2)14(9-10)18-13-7-5-12(6-8-13)15(16)17/h3-9H,1-2H3.
What are the key properties of 1,4-dimethyl-2-(4-nitrophenoxy)benzene?
1,4-dimethyl-2-(4-nitrophenoxy)benzene has a molecular weight of 243.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(4-nitrophenoxy)benzene is sourced from PubChem (CID 22164458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).