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

C35H56O2 — CID 54117859

IUPAC4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(CCCc2cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1O
InChIInChI=1S/C35H56O2/c1-13-32(5,6)26-20-24(21-27(30(26)36)33(7,8)14-2)18-17-19-25-22-28(34(9,10)15-3)31(37)29(23-25)35(11,12)16-4/h20-23,36-37H,13-19H2,1-12H3
InChIKeyNLPRBVUBXHMRGS-UHFFFAOYSA-N
MW508.83 g/mol
LogP10.02
Rot. Bonds12

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

4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol (PubChem CID 54117859) has the molecular formula C35H56O2 and a molecular weight of 508.83 g/mol. Its IUPAC name is 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
PubChem CID54117859
Molecular FormulaC35H56O2
Molecular Weight508.83 g/mol
Exact Mass508.43
IUPAC Name4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(CCCc2cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1O
InChIInChI=1S/C35H56O2/c1-13-32(5,6)26-20-24(21-27(30(26)36)33(7,8)14-2)18-17-19-25-22-28(34(9,10)15-3)31(37)29(23-25)35(11,12)16-4/h20-23,36-37H,13-19H2,1-12H3
InChIKeyNLPRBVUBXHMRGS-UHFFFAOYSA-N
XLogP10.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.83
LogP ≤ 510.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
CID 19003417
2-[[2-hydroxy-5-(5-hydroxypentyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(5-hydroxypentyl)-6-(2-methylbutan-2-yl)phenol
CID 58863005
4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol
CID 152764952
2-(2-methylbutan-2-yl)-4-nonylphenol
CID 139606496
2-tert-butyl-4-[2-[3-[2-[3-tert-butyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-6-(2-methylbutan-2-yl)phenol
CID 139762573
2,6-ditert-butyl-4-(3-ethylsulfanylpropyl)phenol
CID 12006674
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
4-hydroxy-3,5-bis(2-methylbutan-2-yl)benzenesulfonic acid
CID 87316224
2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734661
2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol
CID 154329920
2,6-ditert-butyl-4-pent-4-enylphenol
CID 22463031

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol?
The IUPAC name of 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol (CID 54117859) is 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol?
The canonical SMILES for 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(CCCc2cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1O.
What is the InChIKey of 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol?
The InChIKey is NLPRBVUBXHMRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56O2/c1-13-32(5,6)26-20-24(21-27(30(26)36)33(7,8)14-2)18-17-19-25-22-28(34(9,10)15-3)31(37)29(23-25)35(11,12)16-4/h20-23,36-37H,13-19H2,1-12H3.
What are the key properties of 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol?
4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol has a molecular weight of 508.83 g/mol, XLogP of 10.02, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 54117859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).