2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole

C17H18O2 — CID 143158230

IUPAC2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole
SMILESCc1cccc2c1OC(C)(CCc1ccccc1)O2
InChIInChI=1S/C17H18O2/c1-13-7-6-10-15-16(13)19-17(2,18-15)12-11-14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3
InChIKeyKMTOBXOCBFWCKK-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.12
Rot. Bonds3

About 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole

2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole (PubChem CID 143158230) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole
PubChem CID143158230
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole
SMILESCc1cccc2c1OC(C)(CCc1ccccc1)O2
InChIInChI=1S/C17H18O2/c1-13-7-6-10-15-16(13)19-17(2,18-15)12-11-14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3
InChIKeyKMTOBXOCBFWCKK-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole?
The IUPAC name of 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole (CID 143158230) is 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole.
What is the SMILES notation for 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole?
The canonical SMILES for 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole is Cc1cccc2c1OC(C)(CCc1ccccc1)O2.
What is the InChIKey of 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole?
The InChIKey is KMTOBXOCBFWCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-7-6-10-15-16(13)19-17(2,18-15)12-11-14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole?
2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole has a molecular weight of 254.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-phenylethyl)-1,3-benzodioxole is sourced from PubChem (CID 143158230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).