(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium

C12H15N2O+ — CID 11447008

IUPAC(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium
SMILESN#[N+]/C=C(/O)CCCCc1ccccc1
InChIInChI=1S/C12H14N2O/c13-14-10-12(15)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/p+1/b12-10+
InChIKeyRQNMAKQZAZGAAP-ZRDIBKRKSA-O
MW203.27 g/mol
LogP3.65
Rot. Bonds5

About (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium

(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium (PubChem CID 11447008) has the molecular formula C12H15N2O+ and a molecular weight of 203.27 g/mol. Its IUPAC name is (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium.

Molecular Properties

Compound Name(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium
PubChem CID11447008
Molecular FormulaC12H15N2O+
Molecular Weight203.27 g/mol
Exact Mass203.12
IUPAC Name(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium
SMILESN#[N+]/C=C(/O)CCCCc1ccccc1
InChIInChI=1S/C12H14N2O/c13-14-10-12(15)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/p+1/b12-10+
InChIKeyRQNMAKQZAZGAAP-ZRDIBKRKSA-O
XLogP3.65
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-phenylbutylbenzene
CID 141301927
1,9-diphenylnonan-5-one
CID 23467830
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
15-phenylpentadecanoic acid
CID 2737151
(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
CID 6912772
(Z)-3-chloro-7-phenylhept-2-en-1-ol
CID 11138792
N-methyl-9-phenylnonanamide
CID 118028570
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
sodium 8-phenyloctaneselenoate
CID 141480312
potassium 17-phenylheptadecaneselenoate
CID 141480285

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium?
The IUPAC name of (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium (CID 11447008) is (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium.
What is the SMILES notation for (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium?
The canonical SMILES for (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium is N#[N+]/C=C(/O)CCCCc1ccccc1.
What is the InChIKey of (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium?
The InChIKey is RQNMAKQZAZGAAP-ZRDIBKRKSA-O. The full InChI is InChI=1S/C12H14N2O/c13-14-10-12(15)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2/p+1/b12-10+.
What are the key properties of (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium?
(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium has a molecular weight of 203.27 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium is sourced from PubChem (CID 11447008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).