2-(2-iminoethyl)phenol

C8H9NO — CID 90112038

IUPAC2-(2-iminoethyl)phenol
SMILES[H]/N=C/Cc1ccccc1O
InChIInChI=1S/C8H9NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,6,9-10H,5H2/b9-6+
InChIKeyWBABVVMCTALUHF-RMKNXTFCSA-N
MW135.17 g/mol
LogP1.58
Rot. Bonds2

About 2-(2-iminoethyl)phenol

2-(2-iminoethyl)phenol (PubChem CID 90112038) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(2-iminoethyl)phenol.

Molecular Properties

Compound Name2-(2-iminoethyl)phenol
PubChem CID90112038
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-(2-iminoethyl)phenol
SMILES[H]/N=C/Cc1ccccc1O
InChIInChI=1S/C8H9NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,6,9-10H,5H2/b9-6+
InChIKeyWBABVVMCTALUHF-RMKNXTFCSA-N
XLogP1.58
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iminoethyl)naphthalene-1,4-diol
CID 91312623
2-(2-methyliminoethyl)phenol
CID 15310524
boric acid;2-prop-2-enylphenol
CID 70457137
4-(2-hydroxyphenyl)but-2-ene-1,1-diol
CID 57232134
2-(2-iminopropyl)phenol;manganese
CID 174719483
CID 175749710
CID 175749710
2-(3-prop-2-enylhexa-2,5-dienyl)phenol
CID 70595420
2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol
CID 173349248
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2-(4-methylpenta-2,4-dienyl)phenol
CID 141457123
2-(hydroxymethyl)phenol;methane
CID 157439231
(2-hydroxyphenyl)methylazanium
CID 6930904

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminoethyl)phenol?
The IUPAC name of 2-(2-iminoethyl)phenol (CID 90112038) is 2-(2-iminoethyl)phenol.
What is the SMILES notation for 2-(2-iminoethyl)phenol?
The canonical SMILES for 2-(2-iminoethyl)phenol is [H]/N=C/Cc1ccccc1O.
What is the InChIKey of 2-(2-iminoethyl)phenol?
The InChIKey is WBABVVMCTALUHF-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,6,9-10H,5H2/b9-6+.
What are the key properties of 2-(2-iminoethyl)phenol?
2-(2-iminoethyl)phenol has a molecular weight of 135.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminoethyl)phenol is sourced from PubChem (CID 90112038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).