4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene

C16H16N2O5 — CID 150905300

IUPAC4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(COCc2cc(C)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-11-3-5-15(17(19)20)13(7-11)9-23-10-14-8-12(2)4-6-16(14)18(21)22/h3-8H,9-10H2,1-2H3
InChIKeyLAVPIFMGWNVREW-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.84
Rot. Bonds6

About 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene

4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene (PubChem CID 150905300) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene
PubChem CID150905300
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(COCc2cc(C)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-11-3-5-15(17(19)20)13(7-11)9-23-10-14-8-12(2)4-6-16(14)18(21)22/h3-8H,9-10H2,1-2H3
InChIKeyLAVPIFMGWNVREW-UHFFFAOYSA-N
XLogP3.84
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,2-difluoropropoxymethyl)-4-methyl-1-nitrobenzene
CID 155580536
trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane
CID 170560619
1,2,3,4,5-pentafluoro-6-[(4-methyl-2-nitrophenyl)methoxymethyl]benzene
CID 155580354
(5-methyl-2-nitrophenyl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91703167
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
2-(chloromethyl)-4-(3-methylphenoxy)-1-nitrobenzene
CID 114057920
methyl 2-bromo-3-(5-methyl-2-nitrophenyl)propanoate
CID 112557915
(5-methyl-2-nitrophenyl)methyl N-(3-nitrophenyl)carbamate
CID 87975197
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
ethyl 2-chloro-3-(5-methyl-2-nitrophenyl)propanoate
CID 112557914
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
CID 89213889
CID 89213889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene?
The IUPAC name of 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene (CID 150905300) is 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene.
What is the SMILES notation for 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene?
The canonical SMILES for 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene is Cc1ccc([N+](=O)[O-])c(COCc2cc(C)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene?
The InChIKey is LAVPIFMGWNVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11-3-5-15(17(19)20)13(7-11)9-23-10-14-8-12(2)4-6-16(14)18(21)22/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene?
4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene has a molecular weight of 316.31 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene is sourced from PubChem (CID 150905300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).