2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol

C37H60O2 — CID 21199802

IUPAC2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCCCC(c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O)c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O
InChIInChI=1S/C37H60O2/c1-14-19-20-27(28-21-25(34(6,7)15-2)23-30(32(28)38)36(10,11)17-4)29-22-26(35(8,9)16-3)24-31(33(29)39)37(12,13)18-5/h21-24,27,38-39H,14-20H2,1-13H3
InChIKeyVKJQYNKHJJZGKN-UHFFFAOYSA-N
MW536.89 g/mol
LogP11.17
Rot. Bonds13

About 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol

2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol (PubChem CID 21199802) has the molecular formula C37H60O2 and a molecular weight of 536.89 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol
PubChem CID21199802
Molecular FormulaC37H60O2
Molecular Weight536.89 g/mol
Exact Mass536.46
IUPAC Name2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCCCC(c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O)c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O
InChIInChI=1S/C37H60O2/c1-14-19-20-27(28-21-25(34(6,7)15-2)23-30(32(28)38)36(10,11)17-4)29-22-26(35(8,9)16-3)24-31(33(29)39)37(12,13)18-5/h21-24,27,38-39H,14-20H2,1-13H3
InChIKeyVKJQYNKHJJZGKN-UHFFFAOYSA-N
XLogP11.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.89
LogP ≤ 511.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol with MolForge

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Related Compounds

2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol
CID 18781595
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
CID 15123945
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexan-1-ol;hydrochloride
CID 70357884
2,4-ditert-butyl-6-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307577
4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 54117859
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
CID 15666236
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane
CID 158537359
4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
2,4-ditert-butyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171308873

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol (CID 21199802) is 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol is CCCCC(c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O)c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O.
What is the InChIKey of 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The InChIKey is VKJQYNKHJJZGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60O2/c1-14-19-20-27(28-21-25(34(6,7)15-2)23-30(32(28)38)36(10,11)17-4)29-22-26(35(8,9)16-3)24-31(33(29)39)37(12,13)18-5/h21-24,27,38-39H,14-20H2,1-13H3.
What are the key properties of 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol?
2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol has a molecular weight of 536.89 g/mol, XLogP of 11.17, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 21199802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).