4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol

C11H14O3 — CID 56630437

IUPAC4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCC1(Cc2ccc(O)cc2)OCCO1
InChIInChI=1S/C11H14O3/c1-11(13-6-7-14-11)8-9-2-4-10(12)5-3-9/h2-5,12H,6-8H2,1H3
InChIKeyJAJIUWBRJAQOHS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.70
Rot. Bonds2

About 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol

4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol (PubChem CID 56630437) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
PubChem CID56630437
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
SMILESCC1(Cc2ccc(O)cc2)OCCO1
InChIInChI=1S/C11H14O3/c1-11(13-6-7-14-11)8-9-2-4-10(12)5-3-9/h2-5,12H,6-8H2,1H3
InChIKeyJAJIUWBRJAQOHS-UHFFFAOYSA-N
XLogP1.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol 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-methyl-1,3-dioxolan-2-yl)methyl]phenol?
The IUPAC name of 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol (CID 56630437) is 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol?
The canonical SMILES for 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol is CC1(Cc2ccc(O)cc2)OCCO1.
What is the InChIKey of 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol?
The InChIKey is JAJIUWBRJAQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(13-6-7-14-11)8-9-2-4-10(12)5-3-9/h2-5,12H,6-8H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol?
4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol has a molecular weight of 194.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol is sourced from PubChem (CID 56630437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).