2-(hydroxymethyl)-3-methylphenol

C8H10O2 — CID 10997099

IUPAC2-(hydroxymethyl)-3-methylphenol
SMILESCc1cccc(O)c1CO
InChIInChI=1S/C8H10O2/c1-6-3-2-4-8(10)7(6)5-9/h2-4,9-10H,5H2,1H3
InChIKeyBNMOYKYFKJGWPG-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.19
Rot. Bonds1

About 2-(hydroxymethyl)-3-methylphenol

2-(hydroxymethyl)-3-methylphenol (PubChem CID 10997099) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methylphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methylphenol
PubChem CID10997099
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-(hydroxymethyl)-3-methylphenol
SMILESCc1cccc(O)c1CO
InChIInChI=1S/C8H10O2/c1-6-3-2-4-8(10)7(6)5-9/h2-4,9-10H,5H2,1H3
InChIKeyBNMOYKYFKJGWPG-UHFFFAOYSA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methylphenol?
The IUPAC name of 2-(hydroxymethyl)-3-methylphenol (CID 10997099) is 2-(hydroxymethyl)-3-methylphenol.
What is the SMILES notation for 2-(hydroxymethyl)-3-methylphenol?
The canonical SMILES for 2-(hydroxymethyl)-3-methylphenol is Cc1cccc(O)c1CO.
What is the InChIKey of 2-(hydroxymethyl)-3-methylphenol?
The InChIKey is BNMOYKYFKJGWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-3-2-4-8(10)7(6)5-9/h2-4,9-10H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-3-methylphenol?
2-(hydroxymethyl)-3-methylphenol has a molecular weight of 138.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methylphenol is sourced from PubChem (CID 10997099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).