4-[(4-dodecoxyphenyl)methylideneamino]phenol

C25H35NO2 — CID 18443748

IUPAC4-[(4-dodecoxyphenyl)methylideneamino]phenol
SMILESCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C25H35NO2/c1-2-3-4-5-6-7-8-9-10-11-20-28-25-18-12-22(13-19-25)21-26-23-14-16-24(27)17-15-23/h12-19,21,27H,2-11,20H2,1H3/b26-21+
InChIKeyLYJXVUHJVCCCHO-YYADALCUSA-N
MW381.56 g/mol
LogP7.44
Rot. Bonds14

About 4-[(4-dodecoxyphenyl)methylideneamino]phenol

4-[(4-dodecoxyphenyl)methylideneamino]phenol (PubChem CID 18443748) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 4-[(4-dodecoxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(4-dodecoxyphenyl)methylideneamino]phenol
PubChem CID18443748
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name4-[(4-dodecoxyphenyl)methylideneamino]phenol
SMILESCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C25H35NO2/c1-2-3-4-5-6-7-8-9-10-11-20-28-25-18-12-22(13-19-25)21-26-23-14-16-24(27)17-15-23/h12-19,21,27H,2-11,20H2,1H3/b26-21+
InChIKeyLYJXVUHJVCCCHO-YYADALCUSA-N
XLogP7.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
4-[(4-heptoxyphenyl)methylideneamino]benzoic acid
CID 43836038
[4-[[4-[[4-(4-heptoxybenzoyl)oxyphenyl]iminomethyl]phenyl]methylideneamino]phenyl] 4-heptoxybenzoate
CID 102158254

Frequently Asked Questions

What is the IUPAC name of 4-[(4-dodecoxyphenyl)methylideneamino]phenol?
The IUPAC name of 4-[(4-dodecoxyphenyl)methylideneamino]phenol (CID 18443748) is 4-[(4-dodecoxyphenyl)methylideneamino]phenol.
What is the SMILES notation for 4-[(4-dodecoxyphenyl)methylideneamino]phenol?
The canonical SMILES for 4-[(4-dodecoxyphenyl)methylideneamino]phenol is CCCCCCCCCCCCOc1ccc(/C=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-dodecoxyphenyl)methylideneamino]phenol?
The InChIKey is LYJXVUHJVCCCHO-YYADALCUSA-N. The full InChI is InChI=1S/C25H35NO2/c1-2-3-4-5-6-7-8-9-10-11-20-28-25-18-12-22(13-19-25)21-26-23-14-16-24(27)17-15-23/h12-19,21,27H,2-11,20H2,1H3/b26-21+.
What are the key properties of 4-[(4-dodecoxyphenyl)methylideneamino]phenol?
4-[(4-dodecoxyphenyl)methylideneamino]phenol has a molecular weight of 381.56 g/mol, XLogP of 7.44, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-dodecoxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 18443748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).