2-(octyliminomethyl)pyren-1-ol

C25H27NO — CID 136703636

IUPAC2-(octyliminomethyl)pyren-1-ol
SMILESCCCCCCCC/N=C/c1cc2ccc3cccc4ccc(c1O)c2c34
InChIInChI=1S/C25H27NO/c1-2-3-4-5-6-7-15-26-17-21-16-20-12-11-18-9-8-10-19-13-14-22(25(21)27)24(20)23(18)19/h8-14,16-17,27H,2-7,15H2,1H3/b26-17+
InChIKeySDZBJMWAAPHIAJ-YZSQISJMSA-N
MW357.50 g/mol
LogP7.07
Rot. Bonds8

About 2-(octyliminomethyl)pyren-1-ol

2-(octyliminomethyl)pyren-1-ol (PubChem CID 136703636) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(octyliminomethyl)pyren-1-ol.

Molecular Properties

Compound Name2-(octyliminomethyl)pyren-1-ol
PubChem CID136703636
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name2-(octyliminomethyl)pyren-1-ol
SMILESCCCCCCCC/N=C/c1cc2ccc3cccc4ccc(c1O)c2c34
InChIInChI=1S/C25H27NO/c1-2-3-4-5-6-7-15-26-17-21-16-20-12-11-18-9-8-10-19-13-14-22(25(21)27)24(20)23(18)19/h8-14,16-17,27H,2-7,15H2,1H3/b26-17+
InChIKeySDZBJMWAAPHIAJ-YZSQISJMSA-N
XLogP7.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
1-hexadecylpyrene
CID 12966317
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
4-(octadecyliminomethyl)benzene-1,3-diol
CID 135714970
2-tert-butyl-4-[2-[4-[2-[3-tert-butyl-4-hydroxy-5-(octyliminomethyl)phenyl]ethynyl]phenyl]ethynyl]-6-(octyliminomethyl)phenol
CID 136738351
2-hexylpyren-1-amine
CID 87887526
N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
N-(4-pyren-1-ylbutyl)ethanimine
CID 102513984
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995

Frequently Asked Questions

What is the IUPAC name of 2-(octyliminomethyl)pyren-1-ol?
The IUPAC name of 2-(octyliminomethyl)pyren-1-ol (CID 136703636) is 2-(octyliminomethyl)pyren-1-ol.
What is the SMILES notation for 2-(octyliminomethyl)pyren-1-ol?
The canonical SMILES for 2-(octyliminomethyl)pyren-1-ol is CCCCCCCC/N=C/c1cc2ccc3cccc4ccc(c1O)c2c34.
What is the InChIKey of 2-(octyliminomethyl)pyren-1-ol?
The InChIKey is SDZBJMWAAPHIAJ-YZSQISJMSA-N. The full InChI is InChI=1S/C25H27NO/c1-2-3-4-5-6-7-15-26-17-21-16-20-12-11-18-9-8-10-19-13-14-22(25(21)27)24(20)23(18)19/h8-14,16-17,27H,2-7,15H2,1H3/b26-17+.
What are the key properties of 2-(octyliminomethyl)pyren-1-ol?
2-(octyliminomethyl)pyren-1-ol has a molecular weight of 357.50 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octyliminomethyl)pyren-1-ol is sourced from PubChem (CID 136703636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).