12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol

C19H21NO2 — CID 24807421

IUPAC12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
SMILESOCC/N=C/c1cc2ccc1CCc1ccc(cc1O)CC2
InChIInChI=1S/C19H21NO2/c21-10-9-20-13-18-11-14-1-2-15-4-6-17(19(22)12-15)8-7-16(18)5-3-14/h3-6,11-13,21-22H,1-2,7-10H2/b20-13+
InChIKeyJYFOGSOJFIPNTH-DEDYPNTBSA-N
MW295.38 g/mol
LogP2.69
Rot. Bonds3

About 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol

12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol (PubChem CID 24807421) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol.

Molecular Properties

Compound Name12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
PubChem CID24807421
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
SMILESOCC/N=C/c1cc2ccc1CCc1ccc(cc1O)CC2
InChIInChI=1S/C19H21NO2/c21-10-9-20-13-18-11-14-1-2-15-4-6-17(19(22)12-15)8-7-16(18)5-3-14/h3-6,11-13,21-22H,1-2,7-10H2/b20-13+
InChIKeyJYFOGSOJFIPNTH-DEDYPNTBSA-N
XLogP2.69
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
methyl 4-hydroxy-3-(2-hydroxyethyliminomethyl)benzoate
CID 172566365
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
copper(1+);2-(2-hydroxyethyliminomethyl)phenol;1,10-phenanthroline-1,10-diide
CID 5252203
5-hexadecoxy-2-(2-hydroxyethyliminomethyl)phenol
CID 136863779
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
5-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 15328348
2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
[3-hydroxy-4-[2-[[2-hydroxy-4-(trimethylazaniumyl)phenyl]methylideneamino]ethyliminomethyl]phenyl]-trimethylazanium
CID 135421377
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504

Frequently Asked Questions

What is the IUPAC name of 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol?
The IUPAC name of 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol (CID 24807421) is 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol.
What is the SMILES notation for 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol?
The canonical SMILES for 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol is OCC/N=C/c1cc2ccc1CCc1ccc(cc1O)CC2.
What is the InChIKey of 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol?
The InChIKey is JYFOGSOJFIPNTH-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H21NO2/c21-10-9-20-13-18-11-14-1-2-15-4-6-17(19(22)12-15)8-7-16(18)5-3-14/h3-6,11-13,21-22H,1-2,7-10H2/b20-13+.
What are the key properties of 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol?
12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol has a molecular weight of 295.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol is sourced from PubChem (CID 24807421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).