[2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium

C17H24NO2+ — CID 144562410

IUPAC[2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium
SMILESC=Cc1cc(OC2CCC(CC)CC2)ccc1[N+](=C)O
InChIInChI=1S/C17H24NO2/c1-4-13-6-8-15(9-7-13)20-16-10-11-17(18(3)19)14(5-2)12-16/h5,10-13,15,19H,2-4,6-9H2,1H3/q+1
InChIKeyLXURASGKYRZJRM-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.41
Rot. Bonds5

About [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium

[2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium (PubChem CID 144562410) has the molecular formula C17H24NO2+ and a molecular weight of 274.38 g/mol. Its IUPAC name is [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium.

Molecular Properties

Compound Name[2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium
PubChem CID144562410
Molecular FormulaC17H24NO2+
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name[2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium
SMILESC=Cc1cc(OC2CCC(CC)CC2)ccc1[N+](=C)O
InChIInChI=1S/C17H24NO2/c1-4-13-6-8-15(9-7-13)20-16-10-11-17(18(3)19)14(5-2)12-16/h5,10-13,15,19H,2-4,6-9H2,1H3/q+1
InChIKeyLXURASGKYRZJRM-UHFFFAOYSA-N
XLogP4.41
TPSA32.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium?
The IUPAC name of [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium (CID 144562410) is [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium.
What is the SMILES notation for [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium?
The canonical SMILES for [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium is C=Cc1cc(OC2CCC(CC)CC2)ccc1[N+](=C)O.
What is the InChIKey of [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium?
The InChIKey is LXURASGKYRZJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO2/c1-4-13-6-8-15(9-7-13)20-16-10-11-17(18(3)19)14(5-2)12-16/h5,10-13,15,19H,2-4,6-9H2,1H3/q+1.
What are the key properties of [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium?
[2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium has a molecular weight of 274.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium is sourced from PubChem (CID 144562410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).