1-methyl-2-nitro-3-phenylmethoxybenzene

C14H13NO3 — CID 3344187

IUPAC1-methyl-2-nitro-3-phenylmethoxybenzene
SMILESCc1cccc(OCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H13NO3/c1-11-6-5-9-13(14(11)15(16)17)18-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyZUMJNYJMXBJJIC-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.48
Rot. Bonds4

About 1-methyl-2-nitro-3-phenylmethoxybenzene

1-methyl-2-nitro-3-phenylmethoxybenzene (PubChem CID 3344187) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-methyl-2-nitro-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-methyl-2-nitro-3-phenylmethoxybenzene
PubChem CID3344187
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-methyl-2-nitro-3-phenylmethoxybenzene
SMILESCc1cccc(OCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H13NO3/c1-11-6-5-9-13(14(11)15(16)17)18-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyZUMJNYJMXBJJIC-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-iodo-2-nitro-3-phenylmethoxybenzene
CID 134860579
4-[(3-methyl-2-nitrophenoxy)methyl]-1-phenylpyrazole
CID 112828258
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973
1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
CID 112828246
5-fluoro-1-methyl-2-nitro-3-phenylmethoxybenzene;1,3,5-trifluoro-2-nitrobenzene
CID 158475219
1-(3-methoxypropoxy)-3-methyl-2-nitrobenzene
CID 75505868
2-(3-methyl-2-nitrophenoxy)acetonitrile
CID 60772568
1-methyl-2-nitro-3-prop-2-ynoxybenzene
CID 60772465
2-hydroxy-3-(3-methyl-2-nitrophenoxy)propanoic acid
CID 3030918
2-bromo-5-[(3-methyl-2-nitrophenoxy)methyl]thiophene
CID 54942329
1-(2,2-dimethoxyethoxy)-3-methyl-2-nitrobenzene
CID 66222116
2-methyl-3-(3-methyl-2-nitrophenoxy)propanoic acid
CID 43538095

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nitro-3-phenylmethoxybenzene?
The IUPAC name of 1-methyl-2-nitro-3-phenylmethoxybenzene (CID 3344187) is 1-methyl-2-nitro-3-phenylmethoxybenzene.
What is the SMILES notation for 1-methyl-2-nitro-3-phenylmethoxybenzene?
The canonical SMILES for 1-methyl-2-nitro-3-phenylmethoxybenzene is Cc1cccc(OCc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 1-methyl-2-nitro-3-phenylmethoxybenzene?
The InChIKey is ZUMJNYJMXBJJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-11-6-5-9-13(14(11)15(16)17)18-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-2-nitro-3-phenylmethoxybenzene?
1-methyl-2-nitro-3-phenylmethoxybenzene 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-2-nitro-3-phenylmethoxybenzene is sourced from PubChem (CID 3344187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).