3-butan-2-yloxybenzenediazonium

C10H13N2O+ — CID 82972983

IUPAC3-butan-2-yloxybenzenediazonium
SMILESCCC(C)Oc1cccc([N+]#N)c1
InChIInChI=1S/C10H13N2O/c1-3-8(2)13-10-6-4-5-9(7-10)12-11/h4-8H,3H2,1-2H3/q+1
InChIKeyDJYJSXMOLQWFKN-UHFFFAOYSA-N
MW177.23 g/mol
LogP3.35
Rot. Bonds3

About 3-butan-2-yloxybenzenediazonium

3-butan-2-yloxybenzenediazonium (PubChem CID 82972983) has the molecular formula C10H13N2O+ and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-butan-2-yloxybenzenediazonium.

Molecular Properties

Compound Name3-butan-2-yloxybenzenediazonium
PubChem CID82972983
Molecular FormulaC10H13N2O+
Molecular Weight177.23 g/mol
Exact Mass177.10
IUPAC Name3-butan-2-yloxybenzenediazonium
SMILESCCC(C)Oc1cccc([N+]#N)c1
InChIInChI=1S/C10H13N2O/c1-3-8(2)13-10-6-4-5-9(7-10)12-11/h4-8H,3H2,1-2H3/q+1
InChIKeyDJYJSXMOLQWFKN-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
3-butan-2-yloxybenzenecarbothioamide
CID 43209213
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
CID 60801175
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
4-butan-2-yloxyaniline
CID 13097722
(1S)-1-(3-butan-2-yloxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 161056198
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxybenzenediazonium?
The IUPAC name of 3-butan-2-yloxybenzenediazonium (CID 82972983) is 3-butan-2-yloxybenzenediazonium.
What is the SMILES notation for 3-butan-2-yloxybenzenediazonium?
The canonical SMILES for 3-butan-2-yloxybenzenediazonium is CCC(C)Oc1cccc([N+]#N)c1.
What is the InChIKey of 3-butan-2-yloxybenzenediazonium?
The InChIKey is DJYJSXMOLQWFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O/c1-3-8(2)13-10-6-4-5-9(7-10)12-11/h4-8H,3H2,1-2H3/q+1.
What are the key properties of 3-butan-2-yloxybenzenediazonium?
3-butan-2-yloxybenzenediazonium has a molecular weight of 177.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxybenzenediazonium is sourced from PubChem (CID 82972983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).