(E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium

C13H17N2O3+ — CID 10988637

IUPAC(E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium
SMILESC[C@H](C[C@@H](C)Oc1ccccc1)O/C(O)=C/[N+]#N
InChIInChI=1S/C13H16N2O3/c1-10(17-12-6-4-3-5-7-12)8-11(2)18-13(16)9-15-14/h3-7,9-11H,8H2,1-2H3/p+1/b13-9+/t10-,11-/m1/s1
InChIKeyYZVCIMBCYTZSCL-IXBWVPESSA-O
MW249.29 g/mol
LogP3.46
Rot. Bonds6

About (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium

(E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium (PubChem CID 10988637) has the molecular formula C13H17N2O3+ and a molecular weight of 249.29 g/mol. Its IUPAC name is (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium.

Molecular Properties

Compound Name(E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium
PubChem CID10988637
Molecular FormulaC13H17N2O3+
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name(E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium
SMILESC[C@H](C[C@@H](C)Oc1ccccc1)O/C(O)=C/[N+]#N
InChIInChI=1S/C13H16N2O3/c1-10(17-12-6-4-3-5-7-12)8-11(2)18-13(16)9-15-14/h3-7,9-11H,8H2,1-2H3/p+1/b13-9+/t10-,11-/m1/s1
InChIKeyYZVCIMBCYTZSCL-IXBWVPESSA-O
XLogP3.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-phenoxyhexan-2-imine
CID 134275621
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
4-(3-methylphenoxy)pentan-2-yl 2-diazoacetate
CID 101142901
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
1-ethenoxypropan-2-yloxybenzene
CID 19808106
1-phenoxyethanol
CID 66611531
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
butan-2-yl 3-methyl-2-phenoxybutanoate
CID 166438385
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium?
The IUPAC name of (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium (CID 10988637) is (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium.
What is the SMILES notation for (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium?
The canonical SMILES for (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium is C[C@H](C[C@@H](C)Oc1ccccc1)O/C(O)=C/[N+]#N.
What is the InChIKey of (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium?
The InChIKey is YZVCIMBCYTZSCL-IXBWVPESSA-O. The full InChI is InChI=1S/C13H16N2O3/c1-10(17-12-6-4-3-5-7-12)8-11(2)18-13(16)9-15-14/h3-7,9-11H,8H2,1-2H3/p+1/b13-9+/t10-,11-/m1/s1.
What are the key properties of (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium?
(E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium has a molecular weight of 249.29 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-2-[(2R,4R)-4-phenoxypentan-2-yl]oxyethenediazonium is sourced from PubChem (CID 10988637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).