1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol

C11H16O3 — CID 60884005

IUPAC1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(CO)cc1
InChIInChI=1S/C11H16O3/c1-11(2,13)8-14-10-5-3-9(7-12)4-6-10/h3-6,12-13H,7-8H2,1-2H3
InChIKeyLMXKQQCNSSIEEJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.33
Rot. Bonds4

About 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol

1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol (PubChem CID 60884005) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
PubChem CID60884005
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1ccc(CO)cc1
InChIInChI=1S/C11H16O3/c1-11(2,13)8-14-10-5-3-9(7-12)4-6-10/h3-6,12-13H,7-8H2,1-2H3
InChIKeyLMXKQQCNSSIEEJ-UHFFFAOYSA-N
XLogP1.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol (CID 60884005) is 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol is CC(C)(O)COc1ccc(CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol?
The InChIKey is LMXKQQCNSSIEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,13)8-14-10-5-3-9(7-12)4-6-10/h3-6,12-13H,7-8H2,1-2H3.
What are the key properties of 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol?
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 60884005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).