2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine

C20H24O2 — CID 175589492

IUPAC2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine
SMILESCC(C)c1ccccc1Cc1cccc2c1OCC(C)(C)O2
InChIInChI=1S/C20H24O2/c1-14(2)17-10-6-5-8-15(17)12-16-9-7-11-18-19(16)21-13-20(3,4)22-18/h5-11,14H,12-13H2,1-4H3
InChIKeyGFVMVBYJVKBNPZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.95
Rot. Bonds3

About 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine

2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine (PubChem CID 175589492) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine
PubChem CID175589492
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine
SMILESCC(C)c1ccccc1Cc1cccc2c1OCC(C)(C)O2
InChIInChI=1S/C20H24O2/c1-14(2)17-10-6-5-8-15(17)12-16-9-7-11-18-19(16)21-13-20(3,4)22-18/h5-11,14H,12-13H2,1-4H3
InChIKeyGFVMVBYJVKBNPZ-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
CID 123856255
ethane;6-propan-2-ylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]
CID 165000926
1-benzyl-2-propan-2-ylbenzene
CID 13215617
CID 173166794
CID 173166794
3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol
CID 143192297
(2-propan-2-ylphenyl)methanamine
CID 15040708
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
2-bromo-2-methyl-4-propan-2-yl-3H-1-benzofuran
CID 152618935
2-methyl-2-[(2-propan-2-ylphenoxy)methyl]oxirane
CID 66334758
5-(1,3-benzodioxol-4-ylmethyl)-6-ethyl-1,3-benzodioxole
CID 171509585
5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 177208760

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine?
The IUPAC name of 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine (CID 175589492) is 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine.
What is the SMILES notation for 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine?
The canonical SMILES for 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine is CC(C)c1ccccc1Cc1cccc2c1OCC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine?
The InChIKey is GFVMVBYJVKBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-14(2)17-10-6-5-8-15(17)12-16-9-7-11-18-19(16)21-13-20(3,4)22-18/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine?
2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine has a molecular weight of 296.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodioxine is sourced from PubChem (CID 175589492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).