1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol

C15H24O2 — CID 19774059

IUPAC1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
SMILESCC(O)COc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H24O2/c1-10(2)13-7-6-8-14(11(3)4)15(13)17-9-12(5)16/h6-8,10-12,16H,9H2,1-5H3
InChIKeyMZIUITINRCYCNO-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol

1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol (PubChem CID 19774059) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
PubChem CID19774059
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
SMILESCC(O)COc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H24O2/c1-10(2)13-7-6-8-14(11(3)4)15(13)17-9-12(5)16/h6-8,10-12,16H,9H2,1-5H3
InChIKeyMZIUITINRCYCNO-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol (CID 19774059) is 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol is CC(O)COc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol?
The InChIKey is MZIUITINRCYCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)13-7-6-8-14(11(3)4)15(13)17-9-12(5)16/h6-8,10-12,16H,9H2,1-5H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol?
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 19774059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).