4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol

C16H26N2O3 — CID 137208666

IUPAC4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol
SMILESCOC(C)(C)CCOCCN(C)/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-16(2,20-4)9-11-21-12-10-18(3)17-13-14-5-7-15(19)8-6-14/h5-8,13,19H,9-12H2,1-4H3/b17-13+
InChIKeyQKHALAWONXTCAJ-GHRIWEEISA-N
MW294.39 g/mol
LogP2.49
Rot. Bonds9

About 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol

4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol (PubChem CID 137208666) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol
PubChem CID137208666
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol
SMILESCOC(C)(C)CCOCCN(C)/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-16(2,20-4)9-11-21-12-10-18(3)17-13-14-5-7-15(19)8-6-14/h5-8,13,19H,9-12H2,1-4H3/b17-13+
InChIKeyQKHALAWONXTCAJ-GHRIWEEISA-N
XLogP2.49
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol (CID 137208666) is 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol is COC(C)(C)CCOCCN(C)/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol?
The InChIKey is QKHALAWONXTCAJ-GHRIWEEISA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,20-4)9-11-21-12-10-18(3)17-13-14-5-7-15(19)8-6-14/h5-8,13,19H,9-12H2,1-4H3/b17-13+.
What are the key properties of 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol?
4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol has a molecular weight of 294.39 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[2-(3-methoxy-3-methylbutoxy)ethyl-methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 137208666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).