2-methyl-1-nitro-4-(2-phenylethoxy)benzene

C15H15NO3 — CID 15295878

IUPAC2-methyl-1-nitro-4-(2-phenylethoxy)benzene
SMILESCc1cc(OCCc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO3/c1-12-11-14(7-8-15(12)16(17)18)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyLEBOZCVCYLFLHH-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-1-nitro-4-(2-phenylethoxy)benzene

2-methyl-1-nitro-4-(2-phenylethoxy)benzene (PubChem CID 15295878) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-1-nitro-4-(2-phenylethoxy)benzene.

Molecular Properties

Compound Name2-methyl-1-nitro-4-(2-phenylethoxy)benzene
PubChem CID15295878
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-methyl-1-nitro-4-(2-phenylethoxy)benzene
SMILESCc1cc(OCCc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO3/c1-12-11-14(7-8-15(12)16(17)18)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyLEBOZCVCYLFLHH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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

2-nitro-5-(3-phenylpropoxy)aniline
CID 106752038
2-nitro-5-(3-phenylpropoxy)benzonitrile
CID 115501528
2-methyl-1-nitro-4-(phenoxymethyl)benzene
CID 156730430
N-ethyl-3-(3-methyl-4-nitrophenoxy)propan-1-amine
CID 29015276
2-methyl-1-nitro-4-prop-2-enoxybenzene
CID 14239229
1-[2-(3-methyl-4-nitrophenoxy)ethyl]pyrrolidin-1-ium
CID 7381403
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
2-[2-(3-methyl-4-nitrophenoxy)ethyl]-1-phenylpyrazolidin-3-one
CID 2961399
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116
1-[3-(3-methyl-4-nitrophenoxy)propyl]piperazine
CID 2195581
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitro-4-(2-phenylethoxy)benzene?
The IUPAC name of 2-methyl-1-nitro-4-(2-phenylethoxy)benzene (CID 15295878) is 2-methyl-1-nitro-4-(2-phenylethoxy)benzene.
What is the SMILES notation for 2-methyl-1-nitro-4-(2-phenylethoxy)benzene?
The canonical SMILES for 2-methyl-1-nitro-4-(2-phenylethoxy)benzene is Cc1cc(OCCc2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-nitro-4-(2-phenylethoxy)benzene?
The InChIKey is LEBOZCVCYLFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-12-11-14(7-8-15(12)16(17)18)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-methyl-1-nitro-4-(2-phenylethoxy)benzene?
2-methyl-1-nitro-4-(2-phenylethoxy)benzene has a molecular weight of 257.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitro-4-(2-phenylethoxy)benzene is sourced from PubChem (CID 15295878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).