4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol

C14H21NO2 — CID 58779359

IUPAC4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol
SMILESCC(C)(/C=N/O)CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-13(2,10-15-17)9-14(3,4)11-5-7-12(16)8-6-11/h5-8,10,16-17H,9H2,1-4H3/b15-10+
InChIKeyPDAQTXWQIYDWKQ-XNTDXEJSSA-N
MW235.33 g/mol
LogP3.55
Rot. Bonds4

About 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol

4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol (PubChem CID 58779359) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol.

Molecular Properties

Compound Name4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol
PubChem CID58779359
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol
SMILESCC(C)(/C=N/O)CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-13(2,10-15-17)9-14(3,4)11-5-7-12(16)8-6-11/h5-8,10,16-17H,9H2,1-4H3/b15-10+
InChIKeyPDAQTXWQIYDWKQ-XNTDXEJSSA-N
XLogP3.55
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 6455739
4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 161085826
3,5-ditert-butylphenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 70461852
2-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87507091
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
4-(2,7,7-trimethyloctan-2-yl)phenol
CID 141467055
4-tert-butylphenol;titanium
CID 20801499
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;cobalt
CID 174380967
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-tert-butylphenol;nickel
CID 162056786
4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol
CID 135254228

Frequently Asked Questions

What is the IUPAC name of 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol?
The IUPAC name of 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol (CID 58779359) is 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol.
What is the SMILES notation for 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol?
The canonical SMILES for 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol is CC(C)(/C=N/O)CC(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol?
The InChIKey is PDAQTXWQIYDWKQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2,10-15-17)9-14(3,4)11-5-7-12(16)8-6-11/h5-8,10,16-17H,9H2,1-4H3/b15-10+.
What are the key properties of 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol?
4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol has a molecular weight of 235.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol is sourced from PubChem (CID 58779359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).