3-(2-nitrosophenoxy)propyl acetate

C11H13NO4 — CID 174907760

IUPAC3-(2-nitrosophenoxy)propyl acetate
SMILESCC(=O)OCCCOc1ccccc1N=O
InChIInChI=1S/C11H13NO4/c1-9(13)15-7-4-8-16-11-6-3-2-5-10(11)12-14/h2-3,5-6H,4,7-8H2,1H3
InChIKeyOAOUQLURIQNLOC-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.42
Rot. Bonds6

About 3-(2-nitrosophenoxy)propyl acetate

3-(2-nitrosophenoxy)propyl acetate (PubChem CID 174907760) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2-nitrosophenoxy)propyl acetate.

Molecular Properties

Compound Name3-(2-nitrosophenoxy)propyl acetate
PubChem CID174907760
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-(2-nitrosophenoxy)propyl acetate
SMILESCC(=O)OCCCOc1ccccc1N=O
InChIInChI=1S/C11H13NO4/c1-9(13)15-7-4-8-16-11-6-3-2-5-10(11)12-14/h2-3,5-6H,4,7-8H2,1H3
InChIKeyOAOUQLURIQNLOC-UHFFFAOYSA-N
XLogP2.42
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenoxy)propyl acetate
CID 59706608
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-(2-tetradecoxyphenyl)guanidine
CID 154378481
methyl (E)-3-[2-(5-acetyloxypentoxy)phenyl]prop-2-enoate
CID 67780195
2-[2-(2-iodoethenyl)phenoxy]ethyl acetate
CID 54286183
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
12-pyridin-2-yloxydodecyl acetate
CID 70684250
benzoyl benzoate;butyl acetate
CID 174908131
3-(2-methylprop-2-enoyloxy)propyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333815
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrosophenoxy)propyl acetate?
The IUPAC name of 3-(2-nitrosophenoxy)propyl acetate (CID 174907760) is 3-(2-nitrosophenoxy)propyl acetate.
What is the SMILES notation for 3-(2-nitrosophenoxy)propyl acetate?
The canonical SMILES for 3-(2-nitrosophenoxy)propyl acetate is CC(=O)OCCCOc1ccccc1N=O.
What is the InChIKey of 3-(2-nitrosophenoxy)propyl acetate?
The InChIKey is OAOUQLURIQNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-9(13)15-7-4-8-16-11-6-3-2-5-10(11)12-14/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 3-(2-nitrosophenoxy)propyl acetate?
3-(2-nitrosophenoxy)propyl acetate has a molecular weight of 223.23 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrosophenoxy)propyl acetate is sourced from PubChem (CID 174907760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).