4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol

C28H42O3 — CID 141231732

IUPAC4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CCOCCc2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C28H42O3/c1-17(2)23-13-21(14-24(18(3)4)27(23)29)9-11-31-12-10-22-15-25(19(5)6)28(30)26(16-22)20(7)8/h13-20,29-30H,9-12H2,1-8H3
InChIKeyNAYGSPXJPYHJJK-UHFFFAOYSA-N
MW426.64 g/mol
LogP7.39
Rot. Bonds10

About 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol

4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol (PubChem CID 141231732) has the molecular formula C28H42O3 and a molecular weight of 426.64 g/mol. Its IUPAC name is 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol
PubChem CID141231732
Molecular FormulaC28H42O3
Molecular Weight426.64 g/mol
Exact Mass426.31
IUPAC Name4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CCOCCc2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C28H42O3/c1-17(2)23-13-21(14-24(18(3)4)27(23)29)9-11-31-12-10-22-15-25(19(5)6)28(30)26(16-22)20(7)8/h13-20,29-30H,9-12H2,1-8H3
InChIKeyNAYGSPXJPYHJJK-UHFFFAOYSA-N
XLogP7.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol with MolForge

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Related Compounds

2-butyl-4-(2-ethoxyethyl)-6-propan-2-ylphenol
CID 139823212
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate
CID 14401625
2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-propan-2-ylphenyl]-2-methylpropyl]-4-(3-hydroxypropyl)-6-propan-2-ylphenol
CID 59837255
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
2-chloro-4-[3-(3-chloro-4-hydroxy-5-propan-2-ylphenyl)propyl]-6-propan-2-ylphenol
CID 69303493
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
4-[(4-methylphenyl)methylperoxymethyl]-2,6-di(propan-2-yl)phenol
CID 59712642
4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol
CID 18958462
2,6-di(propan-2-yl)-4-(thiiran-2-ylmethyl)phenol
CID 21497689

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol (CID 141231732) is 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol is CC(C)c1cc(CCOCCc2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O.
What is the InChIKey of 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol?
The InChIKey is NAYGSPXJPYHJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O3/c1-17(2)23-13-21(14-24(18(3)4)27(23)29)9-11-31-12-10-22-15-25(19(5)6)28(30)26(16-22)20(7)8/h13-20,29-30H,9-12H2,1-8H3.
What are the key properties of 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol?
4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol has a molecular weight of 426.64 g/mol, XLogP of 7.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethoxy]ethyl]-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 141231732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).