2,3,5-tris(2-methylpropyl)phenol

C18H30O — CID 101292759

IUPAC2,3,5-tris(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(O)c(CC(C)C)c(CC(C)C)c1
InChIInChI=1S/C18H30O/c1-12(2)7-15-10-16(8-13(3)4)17(9-14(5)6)18(19)11-15/h10-14,19H,7-9H2,1-6H3
InChIKeyNIMSPGJIVNTGTO-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.99
Rot. Bonds6

About 2,3,5-tris(2-methylpropyl)phenol

2,3,5-tris(2-methylpropyl)phenol (PubChem CID 101292759) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,3,5-tris(2-methylpropyl)phenol.

Molecular Properties

Compound Name2,3,5-tris(2-methylpropyl)phenol
PubChem CID101292759
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,3,5-tris(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(O)c(CC(C)C)c(CC(C)C)c1
InChIInChI=1S/C18H30O/c1-12(2)7-15-10-16(8-13(3)4)17(9-14(5)6)18(19)11-15/h10-14,19H,7-9H2,1-6H3
InChIKeyNIMSPGJIVNTGTO-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]ethyl]benzene-1,2-diol
CID 70877694
4-[[4-hydroxy-3-(2-methylpropyl)phenyl]methyl]-2-(2-methylpropyl)phenol
CID 22003355
5-butyl-2-(2-methylpropyl)phenol
CID 69337414
5-iodo-1,2,3-tris(2-methylpropyl)benzene
CID 170062078
4-[[3,5-bis[[4-hydroxy-3,5-bis(2-methylpropyl)phenyl]methyl]-2,4,6-trimethylphenyl]methyl]-2,6-bis(2-methylpropyl)phenol
CID 118513751
2,2-bis(hydroxymethyl)-1,1-bis[2,4,6-tris(2-methylpropyl)phenyl]propane-1,3-diol
CID 140780109
2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol
CID 19979422
4-benzyl-3,5-bis(2-methylpropyl)phenol
CID 21430786
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
CID 137079153
1-[3,4-bis(aminomethyl)-5-(2-hydroxypropyl)phenyl]propan-2-ol
CID 101292380
CID 172851102
CID 172851102

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris(2-methylpropyl)phenol?
The IUPAC name of 2,3,5-tris(2-methylpropyl)phenol (CID 101292759) is 2,3,5-tris(2-methylpropyl)phenol.
What is the SMILES notation for 2,3,5-tris(2-methylpropyl)phenol?
The canonical SMILES for 2,3,5-tris(2-methylpropyl)phenol is CC(C)Cc1cc(O)c(CC(C)C)c(CC(C)C)c1.
What is the InChIKey of 2,3,5-tris(2-methylpropyl)phenol?
The InChIKey is NIMSPGJIVNTGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-12(2)7-15-10-16(8-13(3)4)17(9-14(5)6)18(19)11-15/h10-14,19H,7-9H2,1-6H3.
What are the key properties of 2,3,5-tris(2-methylpropyl)phenol?
2,3,5-tris(2-methylpropyl)phenol has a molecular weight of 262.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris(2-methylpropyl)phenol is sourced from PubChem (CID 101292759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).