1-ethyl-3-[(3-nitrophenyl)methoxy]benzene

C15H15NO3 — CID 60627241

IUPAC1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
SMILESCCc1cccc(OCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H15NO3/c1-2-12-5-4-8-15(10-12)19-11-13-6-3-7-14(9-13)16(17)18/h3-10H,2,11H2,1H3
InChIKeyUSKCVHPONJRPAC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.74
Rot. Bonds5

About 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene

1-ethyl-3-[(3-nitrophenyl)methoxy]benzene (PubChem CID 60627241) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
PubChem CID60627241
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
SMILESCCc1cccc(OCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H15NO3/c1-2-12-5-4-8-15(10-12)19-11-13-6-3-7-14(9-13)16(17)18/h3-10H,2,11H2,1H3
InChIKeyUSKCVHPONJRPAC-UHFFFAOYSA-N
XLogP3.74
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.74
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-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
2-bromo-1-[(3-ethylphenoxy)methyl]-4-nitrobenzene
CID 64764185
1-chloro-4-[(3-ethylphenoxy)methyl]-2-nitrobenzene
CID 43350457
1-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550
1-bromo-2-methyl-4-[(3-nitrophenyl)methoxy]benzene
CID 83132951
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene?
The IUPAC name of 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene (CID 60627241) is 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene is CCc1cccc(OCc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene?
The InChIKey is USKCVHPONJRPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-12-5-4-8-15(10-12)19-11-13-6-3-7-14(9-13)16(17)18/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene?
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene has a molecular weight of 257.29 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 60627241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).