1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene

C15H15NO3 — CID 60627121

IUPAC1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
SMILESCc1cc(C)cc(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15NO3/c1-11-7-12(2)9-14(8-11)19-10-13-5-3-4-6-15(13)16(17)18/h3-9H,10H2,1-2H3
InChIKeyRBYMUYHTSCRWEQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.79
Rot. Bonds4

About 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene

1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene (PubChem CID 60627121) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
PubChem CID60627121
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
SMILESCc1cc(C)cc(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15NO3/c1-11-7-12(2)9-14(8-11)19-10-13-5-3-4-6-15(13)16(17)18/h3-9H,10H2,1-2H3
InChIKeyRBYMUYHTSCRWEQ-UHFFFAOYSA-N
XLogP3.79
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.79
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-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197
3-[(2-nitrophenyl)methoxy]naphthalen-1-ol
CID 70222536
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
[2-[(3-methylphenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353306
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
methyl 4-[(2-nitrophenyl)methoxy]benzoate
CID 26218557

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene?
The IUPAC name of 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene (CID 60627121) is 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene is Cc1cc(C)cc(OCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene?
The InChIKey is RBYMUYHTSCRWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-7-12(2)9-14(8-11)19-10-13-5-3-4-6-15(13)16(17)18/h3-9H,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene?
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene has a molecular weight of 257.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 60627121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).