2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol

C34H56N2O4 — CID 118002642

IUPAC2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol
SMILESCC(C)(C)c1cc(CCCONNOCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H56N2O4/c1-31(2,3)25-19-23(20-26(29(25)37)32(4,5)6)15-13-17-39-35-36-40-18-14-16-24-21-27(33(7,8)9)30(38)28(22-24)34(10,11)12/h19-22,35-38H,13-18H2,1-12H3
InChIKeyZCZYIARPBLBDSO-UHFFFAOYSA-N
MW556.83 g/mol
LogP7.81
Rot. Bonds11

About 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol

2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol (PubChem CID 118002642) has the molecular formula C34H56N2O4 and a molecular weight of 556.83 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol
PubChem CID118002642
Molecular FormulaC34H56N2O4
Molecular Weight556.83 g/mol
Exact Mass556.42
IUPAC Name2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol
SMILESCC(C)(C)c1cc(CCCONNOCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H56N2O4/c1-31(2,3)25-19-23(20-26(29(25)37)32(4,5)6)15-13-17-39-35-36-40-18-14-16-24-21-27(33(7,8)9)30(38)28(22-24)34(10,11)12/h19-22,35-38H,13-18H2,1-12H3
InChIKeyZCZYIARPBLBDSO-UHFFFAOYSA-N
XLogP7.81
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.83
LogP ≤ 57.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2,6-ditert-butylphenol
CID 158079570
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
1,3,5-tris[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 87482865
3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl 2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2-oxoethyl]sulfanylacetate
CID 3909668
2,6-ditert-butyl-4-pent-4-enylphenol
CID 22463031
3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl 3-[2-[[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-4-oxobut-2-en-2-yl]amino]ethylamino]but-2-enoate
CID 3542611
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
2,6-ditert-butyl-4-(3-ethylsulfanylpropyl)phenol
CID 12006674
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl 3-[[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-3-oxopropyl]sulfanylmethylsulfanyl]propanoate
CID 14573012
methyl 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]acetate
CID 88815788

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol (CID 118002642) is 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol is CC(C)(C)c1cc(CCCONNOCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol?
The InChIKey is ZCZYIARPBLBDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2O4/c1-31(2,3)25-19-23(20-26(29(25)37)32(4,5)6)15-13-17-39-35-36-40-18-14-16-24-21-27(33(7,8)9)30(38)28(22-24)34(10,11)12/h19-22,35-38H,13-18H2,1-12H3.
What are the key properties of 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol?
2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol has a molecular weight of 556.83 g/mol, XLogP of 7.81, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]hydrazinyl]oxypropyl]phenol is sourced from PubChem (CID 118002642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).