4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol

C11H15NO2 — CID 135183592

IUPAC4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1C1(CO)CCN1
InChIInChI=1S/C11H15NO2/c1-8-6-9(14)2-3-10(8)11(7-13)4-5-12-11/h2-3,6,12-14H,4-5,7H2,1H3
InChIKeySHSYYGHJBYNKMT-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.88
Rot. Bonds2

About 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol

4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol (PubChem CID 135183592) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol
PubChem CID135183592
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1C1(CO)CCN1
InChIInChI=1S/C11H15NO2/c1-8-6-9(14)2-3-10(8)11(7-13)4-5-12-11/h2-3,6,12-14H,4-5,7H2,1H3
InChIKeySHSYYGHJBYNKMT-UHFFFAOYSA-N
XLogP0.88
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol?
The IUPAC name of 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol (CID 135183592) is 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol.
What is the SMILES notation for 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol?
The canonical SMILES for 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol is Cc1cc(O)ccc1C1(CO)CCN1.
What is the InChIKey of 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol?
The InChIKey is SHSYYGHJBYNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-6-9(14)2-3-10(8)11(7-13)4-5-12-11/h2-3,6,12-14H,4-5,7H2,1H3.
What are the key properties of 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol?
4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol has a molecular weight of 193.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)azetidin-2-yl]-3-methylphenol is sourced from PubChem (CID 135183592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).