4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

C28H32N2O2 — CID 137028699

IUPAC4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESCCC(C)c1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(C(C)CC)ccc2O)c1
InChIInChI=1S/C28H32N2O2/c1-5-19(3)21-11-13-27(31)23(15-21)17-29-25-9-7-8-10-26(25)30-18-24-16-22(20(4)6-2)12-14-28(24)32/h7-20,31-32H,5-6H2,1-4H3/b29-17+,30-18+
InChIKeyFCGVGHZMVXUVHC-YAGSLNJISA-N
MW428.58 g/mol
LogP7.63
Rot. Bonds8

About 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (PubChem CID 137028699) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
PubChem CID137028699
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESCCC(C)c1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(C(C)CC)ccc2O)c1
InChIInChI=1S/C28H32N2O2/c1-5-19(3)21-11-13-27(31)23(15-21)17-29-25-9-7-8-10-26(25)30-18-24-16-22(20(4)6-2)12-14-28(24)32/h7-20,31-32H,5-6H2,1-4H3/b29-17+,30-18+
InChIKeyFCGVGHZMVXUVHC-YAGSLNJISA-N
XLogP7.63
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]iminomethyl]-6-nitrophenol
CID 135688136
2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
CID 137071368
4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol
CID 136694434
2-[(5-butan-2-yl-2-hydroxyphenyl)iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitrophenol
CID 4010929
2-[[4-[(2R)-butan-2-yl]phenyl]iminomethyl]-4-nitrophenol
CID 137043484
4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 136672057
cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate
CID 159772356
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
2-[[2-[(2S)-butan-2-yl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
CID 959772
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The IUPAC name of 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (CID 137028699) is 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The canonical SMILES for 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is CCC(C)c1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc(C(C)CC)ccc2O)c1.
What is the InChIKey of 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The InChIKey is FCGVGHZMVXUVHC-YAGSLNJISA-N. The full InChI is InChI=1S/C28H32N2O2/c1-5-19(3)21-11-13-27(31)23(15-21)17-29-25-9-7-8-10-26(25)30-18-24-16-22(20(4)6-2)12-14-28(24)32/h7-20,31-32H,5-6H2,1-4H3/b29-17+,30-18+.
What are the key properties of 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol has a molecular weight of 428.58 g/mol, XLogP of 7.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 137028699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).