5-(hydroxymethyl)-2-propan-2-ylphenol

C10H14O2 — CID 14002478

IUPAC5-(hydroxymethyl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(CO)cc1O
InChIInChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-5,7,11-12H,6H2,1-2H3
InChIKeyUNNQYEJIPIBHFS-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.01
Rot. Bonds2

About 5-(hydroxymethyl)-2-propan-2-ylphenol

5-(hydroxymethyl)-2-propan-2-ylphenol (PubChem CID 14002478) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-propan-2-ylphenol
PubChem CID14002478
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-(hydroxymethyl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(CO)cc1O
InChIInChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-5,7,11-12H,6H2,1-2H3
InChIKeyUNNQYEJIPIBHFS-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-propan-2-ylphenol?
The IUPAC name of 5-(hydroxymethyl)-2-propan-2-ylphenol (CID 14002478) is 5-(hydroxymethyl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(hydroxymethyl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(hydroxymethyl)-2-propan-2-ylphenol is CC(C)c1ccc(CO)cc1O.
What is the InChIKey of 5-(hydroxymethyl)-2-propan-2-ylphenol?
The InChIKey is UNNQYEJIPIBHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-5,7,11-12H,6H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-propan-2-ylphenol?
5-(hydroxymethyl)-2-propan-2-ylphenol has a molecular weight of 166.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-propan-2-ylphenol is sourced from PubChem (CID 14002478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).