3-(hydroxymethyl)phenol

C7H8O2 — CID 102

IUPAC3-(hydroxymethyl)phenol
SMILESOCc1cccc(O)c1
InChIInChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
InChIKeyOKVJCVWFVRATSG-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.88
Rot. Bonds1

About 3-(hydroxymethyl)phenol

3-(hydroxymethyl)phenol (PubChem CID 102) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-(hydroxymethyl)phenol.

Molecular Properties

Compound Name3-(hydroxymethyl)phenol
PubChem CID102
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name3-(hydroxymethyl)phenol
SMILESOCc1cccc(O)c1
InChIInChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
InChIKeyOKVJCVWFVRATSG-UHFFFAOYSA-N
XLogP0.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)phenol?
The IUPAC name of 3-(hydroxymethyl)phenol (CID 102) is 3-(hydroxymethyl)phenol.
What is the SMILES notation for 3-(hydroxymethyl)phenol?
The canonical SMILES for 3-(hydroxymethyl)phenol is OCc1cccc(O)c1.
What is the InChIKey of 3-(hydroxymethyl)phenol?
The InChIKey is OKVJCVWFVRATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2.
What are the key properties of 3-(hydroxymethyl)phenol?
3-(hydroxymethyl)phenol has a molecular weight of 124.14 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)phenol is sourced from PubChem (CID 102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).