2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol

C19H24N2O2 — CID 110840096

IUPAC2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol
SMILESCC(C)(C)c1ccc(Oc2ccc(C=NNCCO)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)16-6-10-18(11-7-16)23-17-8-4-15(5-9-17)14-21-20-12-13-22/h4-11,14,20,22H,12-13H2,1-3H3
InChIKeyBBUSACOSCKHOIS-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol

2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol (PubChem CID 110840096) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol
PubChem CID110840096
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol
SMILESCC(C)(C)c1ccc(Oc2ccc(C=NNCCO)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)16-6-10-18(11-7-16)23-17-8-4-15(5-9-17)14-21-20-12-13-22/h4-11,14,20,22H,12-13H2,1-3H3
InChIKeyBBUSACOSCKHOIS-UHFFFAOYSA-N
XLogP3.69
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110839992
4-[(2-hydroxyethylhydrazinylidene)methyl]phenol
CID 136704591
2-[2-[(4-cyclohexyloxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840083
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839836
2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
4-(4-tert-butylphenoxy)-N-methylaniline
CID 83549428
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2353273
1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 6247269
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol (CID 110840096) is 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol is CC(C)(C)c1ccc(Oc2ccc(C=NNCCO)cc2)cc1.
What is the InChIKey of 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol?
The InChIKey is BBUSACOSCKHOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)16-6-10-18(11-7-16)23-17-8-4-15(5-9-17)14-21-20-12-13-22/h4-11,14,20,22H,12-13H2,1-3H3.
What are the key properties of 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol?
2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol has a molecular weight of 312.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110840096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).