(1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium

C15H17N2O2+ — CID 10587173

IUPAC(1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium
SMILESCC(C)=CCO/C(O)=C(/C=C/c1ccccc1)[N+]#N
InChIInChI=1S/C15H16N2O2/c1-12(2)10-11-19-15(18)14(17-16)9-8-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/p+1/b9-8+,15-14-
InChIKeyUQAWYRULELJULR-JJVGMRDUSA-O
MW257.31 g/mol
LogP4.26
Rot. Bonds5

About (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium

(1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium (PubChem CID 10587173) has the molecular formula C15H17N2O2+ and a molecular weight of 257.31 g/mol. Its IUPAC name is (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium.

Molecular Properties

Compound Name(1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium
PubChem CID10587173
Molecular FormulaC15H17N2O2+
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name(1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium
SMILESCC(C)=CCO/C(O)=C(/C=C/c1ccccc1)[N+]#N
InChIInChI=1S/C15H16N2O2/c1-12(2)10-11-19-15(18)14(17-16)9-8-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/p+1/b9-8+,15-14-
InChIKeyUQAWYRULELJULR-JJVGMRDUSA-O
XLogP4.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E)-1-[(Z)-but-2-enoxy]-1-hydroxy-4-phenylbuta-1,3-diene-2-diazonium
CID 10800195
[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate
CID 22035471
N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide
CID 75050400
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
CID 29017813
(1E,3Z)-1-ethoxy-1-hydroxyhexa-1,3-diene-2-diazonium
CID 10797180
[(3S)-3,7-dimethyloct-6-enyl] (E)-3-phenylprop-2-enoate
CID 86310523

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium?
The IUPAC name of (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium (CID 10587173) is (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium.
What is the SMILES notation for (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium?
The canonical SMILES for (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium is CC(C)=CCO/C(O)=C(/C=C/c1ccccc1)[N+]#N.
What is the InChIKey of (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium?
The InChIKey is UQAWYRULELJULR-JJVGMRDUSA-O. The full InChI is InChI=1S/C15H16N2O2/c1-12(2)10-11-19-15(18)14(17-16)9-8-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/p+1/b9-8+,15-14-.
What are the key properties of (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium?
(1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium has a molecular weight of 257.31 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-hydroxy-1-(3-methylbut-2-enoxy)-4-phenylbuta-1,3-diene-2-diazonium is sourced from PubChem (CID 10587173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).