4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane

C20H24O3 — CID 69267121

IUPAC4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1cccc(Cc2ccccc2)c1CC1COC(C)(C)O1
InChIInChI=1S/C20H24O3/c1-20(2)22-14-17(23-20)13-18-16(10-7-11-19(18)21-3)12-15-8-5-4-6-9-15/h4-11,17H,12-14H2,1-3H3
InChIKeyFCQFUEJCQGIXBM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.98
Rot. Bonds5

About 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane

4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 69267121) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID69267121
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCOc1cccc(Cc2ccccc2)c1CC1COC(C)(C)O1
InChIInChI=1S/C20H24O3/c1-20(2)22-14-17(23-20)13-18-16(10-7-11-19(18)21-3)12-15-8-5-4-6-9-15/h4-11,17H,12-14H2,1-3H3
InChIKeyFCQFUEJCQGIXBM-UHFFFAOYSA-N
XLogP3.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane 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-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane (CID 69267121) is 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane is COc1cccc(Cc2ccccc2)c1CC1COC(C)(C)O1.
What is the InChIKey of 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FCQFUEJCQGIXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-20(2)22-14-17(23-20)13-18-16(10-7-11-19(18)21-3)12-15-8-5-4-6-9-15/h4-11,17H,12-14H2,1-3H3.
What are the key properties of 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 312.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzyl-6-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 69267121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).