1-nitroso-4-propan-2-yloxybenzene

C9H11NO2 — CID 102138194

IUPAC1-nitroso-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(N=O)cc1
InChIInChI=1S/C9H11NO2/c1-7(2)12-9-5-3-8(10-11)4-6-9/h3-7H,1-2H3
InChIKeyLPNCHHRQATZEGI-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.87
Rot. Bonds3

About 1-nitroso-4-propan-2-yloxybenzene

1-nitroso-4-propan-2-yloxybenzene (PubChem CID 102138194) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-nitroso-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-nitroso-4-propan-2-yloxybenzene
PubChem CID102138194
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-nitroso-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(N=O)cc1
InChIInChI=1S/C9H11NO2/c1-7(2)12-9-5-3-8(10-11)4-6-9/h3-7H,1-2H3
InChIKeyLPNCHHRQATZEGI-UHFFFAOYSA-N
XLogP2.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminodiazenyl)-4-propan-2-yloxybenzene
CID 129114930
(4-iodophenyl)-(4-propan-2-yloxyphenyl)diazene
CID 102032062
[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea
CID 136937293
ethane;4-propan-2-yloxyphenol
CID 142348653
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
N-methyl-4-propan-2-yloxyaniline
CID 18002910
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate
CID 91290433
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-propan-2-yloxybenzene?
The IUPAC name of 1-nitroso-4-propan-2-yloxybenzene (CID 102138194) is 1-nitroso-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-nitroso-4-propan-2-yloxybenzene?
The canonical SMILES for 1-nitroso-4-propan-2-yloxybenzene is CC(C)Oc1ccc(N=O)cc1.
What is the InChIKey of 1-nitroso-4-propan-2-yloxybenzene?
The InChIKey is LPNCHHRQATZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(2)12-9-5-3-8(10-11)4-6-9/h3-7H,1-2H3.
What are the key properties of 1-nitroso-4-propan-2-yloxybenzene?
1-nitroso-4-propan-2-yloxybenzene has a molecular weight of 165.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-propan-2-yloxybenzene is sourced from PubChem (CID 102138194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).