1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene

C16H17NO3 — CID 60627375

IUPAC1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17NO3/c1-12(2)15-5-3-4-6-16(15)20-11-13-7-9-14(10-8-13)17(18)19/h3-10,12H,11H2,1-2H3
InChIKeyKXMNKORREVMHEG-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.30
Rot. Bonds5

About 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene

1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene (PubChem CID 60627375) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
PubChem CID60627375
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17NO3/c1-12(2)15-5-3-4-6-16(15)20-11-13-7-9-14(10-8-13)17(18)19/h3-10,12H,11H2,1-2H3
InChIKeyKXMNKORREVMHEG-UHFFFAOYSA-N
XLogP4.30
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.30
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-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
(2-propan-2-ylphenyl) (4-nitrophenyl)methanesulfonate
CID 78858107
1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 65491120
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
4-chloro-1-nitro-2-[(2-propan-2-ylphenoxy)methyl]benzene
CID 79556511
1-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 62369867
N,N-dimethyl-2-[(4-nitrophenyl)methoxy]benzenesulfonamide
CID 175248720
N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903726
1-[(4-nitrophenyl)methoxy]-3-propan-2-ylbenzene
CID 155228250

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene?
The IUPAC name of 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene (CID 60627375) is 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene?
The canonical SMILES for 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene is CC(C)c1ccccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene?
The InChIKey is KXMNKORREVMHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(2)15-5-3-4-6-16(15)20-11-13-7-9-14(10-8-13)17(18)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene?
1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene has a molecular weight of 271.32 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene is sourced from PubChem (CID 60627375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).