2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane

C19H22O2 — CID 177308908

IUPAC2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
SMILESCC1(C)OCC(CCc2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C19H22O2/c1-19(2)20-14-18(21-19)13-10-15-8-11-17(12-9-15)16-6-4-3-5-7-16/h3-9,11-12,18H,10,13-14H2,1-2H3
InChIKeyIVXJIJWCSLIHEY-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.44
Rot. Bonds4

About 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane

2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane (PubChem CID 177308908) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
PubChem CID177308908
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
SMILESCC1(C)OCC(CCc2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C19H22O2/c1-19(2)20-14-18(21-19)13-10-15-8-11-17(12-9-15)16-6-4-3-5-7-16/h3-9,11-12,18H,10,13-14H2,1-2H3
InChIKeyIVXJIJWCSLIHEY-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane
CID 164671822
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
CID 11059758
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethylamino]-3-oxo-6-phenylhexanoic acid
CID 70436183
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl benzoate
CID 71662878
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-oxidomethanamine
CID 100917658
CID 59269279
CID 59269279
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
3-[[(2S)-2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 18604342
(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
CID 155444946
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
(4R,6R)-2,2-dimethyl-4-(2-phenylethyl)-6-undecyl-1,3-dioxane
CID 102467906

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane (CID 177308908) is 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane is CC1(C)OCC(CCc2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane?
The InChIKey is IVXJIJWCSLIHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-19(2)20-14-18(21-19)13-10-15-8-11-17(12-9-15)16-6-4-3-5-7-16/h3-9,11-12,18H,10,13-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane?
2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane has a molecular weight of 282.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 177308908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).