2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium

C18H18N2O2+2 — CID 69126457

IUPAC2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium
SMILESOc1ccccc1CC#[N+]CC[N+]#CCc1ccccc1O
InChIInChI=1S/C18H16N2O2/c21-17-7-3-1-5-15(17)9-11-19-13-14-20-12-10-16-6-2-4-8-18(16)22/h1-8H,9-10,13-14H2/p+2
InChIKeyPFRTYLPHRKNPOQ-UHFFFAOYSA-P
MW294.35 g/mol
LogP3.55
Rot. Bonds3

About 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium

2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium (PubChem CID 69126457) has the molecular formula C18H18N2O2+2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium
PubChem CID69126457
Molecular FormulaC18H18N2O2+2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium
SMILESOc1ccccc1CC#[N+]CC[N+]#CCc1ccccc1O
InChIInChI=1S/C18H16N2O2/c21-17-7-3-1-5-15(17)9-11-19-13-14-20-12-10-16-6-2-4-8-18(16)22/h1-8H,9-10,13-14H2/p+2
InChIKeyPFRTYLPHRKNPOQ-UHFFFAOYSA-P
XLogP3.55
TPSA49.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-ynylphenol
CID 11658299
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol
CID 102498550
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
CID 175749710
CID 175749710
sodium 3-(2-hydroxyphenyl)-2-oxopropanoate
CID 118606746
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
CID 147052016
CID 147052016
(2-hydroxyphenyl)methylazanium
CID 6930904

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium (CID 69126457) is 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium is Oc1ccccc1CC#[N+]CC[N+]#CCc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium?
The InChIKey is PFRTYLPHRKNPOQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H16N2O2/c21-17-7-3-1-5-15(17)9-11-19-13-14-20-12-10-16-6-2-4-8-18(16)22/h1-8H,9-10,13-14H2/p+2.
What are the key properties of 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium?
2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium has a molecular weight of 294.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium is sourced from PubChem (CID 69126457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).