4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol

C23H39NO — CID 162108034

IUPAC4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol
SMILESCCCCCCCCCC/N=C/c1cc(C(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C23H39NO/c1-6-7-8-9-10-11-12-13-14-24-17-20-15-21(18(2)3)23(25)22(16-20)19(4)5/h15-19,25H,6-14H2,1-5H3/b24-17+
InChIKeyZFTPPUOJLFIBEQ-JJIBRWJFSA-N
MW345.57 g/mol
LogP7.20
Rot. Bonds12

About 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol

4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol (PubChem CID 162108034) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol
PubChem CID162108034
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC Name4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol
SMILESCCCCCCCCCC/N=C/c1cc(C(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C23H39NO/c1-6-7-8-9-10-11-12-13-14-24-17-20-15-21(18(2)3)23(25)22(16-20)19(4)5/h15-19,25H,6-14H2,1-5H3/b24-17+
InChIKeyZFTPPUOJLFIBEQ-JJIBRWJFSA-N
XLogP7.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 57.20
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'}

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Related Compounds

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]icosanoic acid
CID 118862054
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
2-hexylsulfonyl-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile
CID 68900701
2-hexan-2-yl-4,6-di(propan-2-yl)phenol
CID 154085005

Frequently Asked Questions

What is the IUPAC name of 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol (CID 162108034) is 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol is CCCCCCCCCC/N=C/c1cc(C(C)C)c(O)c(C(C)C)c1.
What is the InChIKey of 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol?
The InChIKey is ZFTPPUOJLFIBEQ-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H39NO/c1-6-7-8-9-10-11-12-13-14-24-17-20-15-21(18(2)3)23(25)22(16-20)19(4)5/h15-19,25H,6-14H2,1-5H3/b24-17+.
What are the key properties of 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol?
4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol has a molecular weight of 345.57 g/mol, XLogP of 7.20, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 162108034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).