4-methyl-2-phenyl-1,3-dioxole

C10H10O2 — CID 14792930

IUPAC4-methyl-2-phenyl-1,3-dioxole
SMILESCC1=COC(c2ccccc2)O1
InChIInChI=1S/C10H10O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7,10H,1H3
InChIKeyZAYFCCUBJYEXBE-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.59
Rot. Bonds1

About 4-methyl-2-phenyl-1,3-dioxole

4-methyl-2-phenyl-1,3-dioxole (PubChem CID 14792930) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-dioxole.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-dioxole
PubChem CID14792930
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-methyl-2-phenyl-1,3-dioxole
SMILESCC1=COC(c2ccccc2)O1
InChIInChI=1S/C10H10O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7,10H,1H3
InChIKeyZAYFCCUBJYEXBE-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-phenyl-1,3-dioxole with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-2-phenyl-1,3-dioxole
CID 141045608
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
5-phenyltetraoxolane
CID 102034769
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
4-phenyl-1,3,2-dioxathietane
CID 141391281
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1,3-dioxole?
The IUPAC name of 4-methyl-2-phenyl-1,3-dioxole (CID 14792930) is 4-methyl-2-phenyl-1,3-dioxole.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-dioxole?
The canonical SMILES for 4-methyl-2-phenyl-1,3-dioxole is CC1=COC(c2ccccc2)O1.
What is the InChIKey of 4-methyl-2-phenyl-1,3-dioxole?
The InChIKey is ZAYFCCUBJYEXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7,10H,1H3.
What are the key properties of 4-methyl-2-phenyl-1,3-dioxole?
4-methyl-2-phenyl-1,3-dioxole has a molecular weight of 162.19 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-dioxole is sourced from PubChem (CID 14792930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).