1-methyl-4-[(4-nitrophenoxy)methyl]benzene

C14H13NO3 — CID 824912

IUPAC1-methyl-4-[(4-nitrophenoxy)methyl]benzene
SMILESCc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13NO3/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9H,10H2,1H3
InChIKeyUZSVWTIBVRMWID-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.48
Rot. Bonds4

About 1-methyl-4-[(4-nitrophenoxy)methyl]benzene

1-methyl-4-[(4-nitrophenoxy)methyl]benzene (PubChem CID 824912) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-methyl-4-[(4-nitrophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4-nitrophenoxy)methyl]benzene
PubChem CID824912
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-methyl-4-[(4-nitrophenoxy)methyl]benzene
SMILESCc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13NO3/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9H,10H2,1H3
InChIKeyUZSVWTIBVRMWID-UHFFFAOYSA-N
XLogP3.48
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.48
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-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-methyl-4-[3-(4-nitrophenyl)propoxy]benzene
CID 154265214
1-nitro-4-[[4-[2-[4-[(4-nitrophenyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]benzene
CID 71425965
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
1-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550
4-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 2279269
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-nitrophenoxy)methyl]benzene?
The IUPAC name of 1-methyl-4-[(4-nitrophenoxy)methyl]benzene (CID 824912) is 1-methyl-4-[(4-nitrophenoxy)methyl]benzene.
What is the SMILES notation for 1-methyl-4-[(4-nitrophenoxy)methyl]benzene?
The canonical SMILES for 1-methyl-4-[(4-nitrophenoxy)methyl]benzene is Cc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-methyl-4-[(4-nitrophenoxy)methyl]benzene?
The InChIKey is UZSVWTIBVRMWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-4-[(4-nitrophenoxy)methyl]benzene?
1-methyl-4-[(4-nitrophenoxy)methyl]benzene has a molecular weight of 243.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-nitrophenoxy)methyl]benzene is sourced from PubChem (CID 824912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).