(Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium

C15H17N2O+ — CID 11776439

IUPAC(Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium
SMILESCCCCCC#Cc1ccccc1/C(O)=C/[N+]#N
InChIInChI=1S/C15H16N2O/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)15(18)12-17-16/h7-8,10-12H,2-5H2,1H3/p+1/b15-12-
InChIKeyFOVYFCYYICLRGR-QINSGFPZSA-O
MW241.31 g/mol
LogP4.33
Rot. Bonds4

About (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium

(Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium (PubChem CID 11776439) has the molecular formula C15H17N2O+ and a molecular weight of 241.31 g/mol. Its IUPAC name is (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium.

Molecular Properties

Compound Name(Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium
PubChem CID11776439
Molecular FormulaC15H17N2O+
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium
SMILESCCCCCC#Cc1ccccc1/C(O)=C/[N+]#N
InChIInChI=1S/C15H16N2O/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)15(18)12-17-16/h7-8,10-12H,2-5H2,1H3/p+1/b15-12-
InChIKeyFOVYFCYYICLRGR-QINSGFPZSA-O
XLogP4.33
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.33
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(oct-1-ynyl)benzene
CID 11087701
2-diazo-1-(2-hept-1-ynylphenyl)ethanone
CID 73096894
2-[2-(2-hept-1-ynylphenyl)ethynyl]benzonitrile
CID 11077353
1-(2-hept-1-ynylphenyl)buta-2,3-dien-1-one
CID 25257766
2-hex-1-ynylbenzoyl chloride
CID 10727684
1-hex-1-ynyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 101122268
3-(2-oct-1-ynylphenyl)prop-2-enoic acid
CID 69252054
3-(2-non-1-ynylphenyl)prop-2-enoic acid
CID 76841458
2-hex-1-ynyl-N-phenylbenzamide
CID 102337761
2-pent-1-ynylbenzoic acid
CID 10419975
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-[2-(2-carboxy-6-dodec-1-ynylphenyl)propan-2-yl]-3-dodec-1-ynylbenzoic acid
CID 139997204

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium?
The IUPAC name of (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium (CID 11776439) is (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium.
What is the SMILES notation for (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium?
The canonical SMILES for (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium is CCCCCC#Cc1ccccc1/C(O)=C/[N+]#N.
What is the InChIKey of (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium?
The InChIKey is FOVYFCYYICLRGR-QINSGFPZSA-O. The full InChI is InChI=1S/C15H16N2O/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)15(18)12-17-16/h7-8,10-12H,2-5H2,1H3/p+1/b15-12-.
What are the key properties of (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium?
(Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium has a molecular weight of 241.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium is sourced from PubChem (CID 11776439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).