4-ethyl-2-(methylideneamino)phenol

C9H11NO — CID 118350494

IUPAC4-ethyl-2-(methylideneamino)phenol
SMILESC=Nc1cc(CC)ccc1O
InChIInChI=1S/C9H11NO/c1-3-7-4-5-9(11)8(6-7)10-2/h4-6,11H,2-3H2,1H3
InChIKeyLSTMKZIPXPQZQU-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.29
Rot. Bonds2

About 4-ethyl-2-(methylideneamino)phenol

4-ethyl-2-(methylideneamino)phenol (PubChem CID 118350494) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-ethyl-2-(methylideneamino)phenol.

Molecular Properties

Compound Name4-ethyl-2-(methylideneamino)phenol
PubChem CID118350494
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-ethyl-2-(methylideneamino)phenol
SMILESC=Nc1cc(CC)ccc1O
InChIInChI=1S/C9H11NO/c1-3-7-4-5-9(11)8(6-7)10-2/h4-6,11H,2-3H2,1H3
InChIKeyLSTMKZIPXPQZQU-UHFFFAOYSA-N
XLogP2.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;4-ethyl-2-nitrosophenol
CID 177045182
N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine
CID 170397230
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethylphenol
CID 759206
(5-ethyl-2-hydroxyphenyl)boronic acid
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4-ethyl-2-(5-ethyl-2-hydroxyphenoxy)phenol
CID 18691745
2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
CID 1355768
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
CID 3359294
5-ethyl-2-iodophenol
CID 22996199
2-(2,5-diethylphenyl)-3-ethylbenzene-1,4-diol
CID 101302876
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(methylideneamino)phenol?
The IUPAC name of 4-ethyl-2-(methylideneamino)phenol (CID 118350494) is 4-ethyl-2-(methylideneamino)phenol.
What is the SMILES notation for 4-ethyl-2-(methylideneamino)phenol?
The canonical SMILES for 4-ethyl-2-(methylideneamino)phenol is C=Nc1cc(CC)ccc1O.
What is the InChIKey of 4-ethyl-2-(methylideneamino)phenol?
The InChIKey is LSTMKZIPXPQZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-7-4-5-9(11)8(6-7)10-2/h4-6,11H,2-3H2,1H3.
What are the key properties of 4-ethyl-2-(methylideneamino)phenol?
4-ethyl-2-(methylideneamino)phenol has a molecular weight of 149.19 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(methylideneamino)phenol is sourced from PubChem (CID 118350494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).