2,3,6-tri(butan-2-yl)phenol

C18H30O — CID 101292764

IUPAC2,3,6-tri(butan-2-yl)phenol
SMILESCCC(C)c1ccc(C(C)CC)c(C(C)CC)c1O
InChIInChI=1S/C18H30O/c1-7-12(4)15-10-11-16(13(5)8-2)18(19)17(15)14(6)9-3/h10-14,19H,7-9H2,1-6H3
InChIKeyUKMFGMNFTBYUKV-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.93
Rot. Bonds6

About 2,3,6-tri(butan-2-yl)phenol

2,3,6-tri(butan-2-yl)phenol (PubChem CID 101292764) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,3,6-tri(butan-2-yl)phenol.

Molecular Properties

Compound Name2,3,6-tri(butan-2-yl)phenol
PubChem CID101292764
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,3,6-tri(butan-2-yl)phenol
SMILESCCC(C)c1ccc(C(C)CC)c(C(C)CC)c1O
InChIInChI=1S/C18H30O/c1-7-12(4)15-10-11-16(13(5)8-2)18(19)17(15)14(6)9-3/h10-14,19H,7-9H2,1-6H3
InChIKeyUKMFGMNFTBYUKV-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-tri(butan-2-yl)phenol?
The IUPAC name of 2,3,6-tri(butan-2-yl)phenol (CID 101292764) is 2,3,6-tri(butan-2-yl)phenol.
What is the SMILES notation for 2,3,6-tri(butan-2-yl)phenol?
The canonical SMILES for 2,3,6-tri(butan-2-yl)phenol is CCC(C)c1ccc(C(C)CC)c(C(C)CC)c1O.
What is the InChIKey of 2,3,6-tri(butan-2-yl)phenol?
The InChIKey is UKMFGMNFTBYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-7-12(4)15-10-11-16(13(5)8-2)18(19)17(15)14(6)9-3/h10-14,19H,7-9H2,1-6H3.
What are the key properties of 2,3,6-tri(butan-2-yl)phenol?
2,3,6-tri(butan-2-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-tri(butan-2-yl)phenol is sourced from PubChem (CID 101292764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).