2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane

C13H18O3 — CID 82080263

IUPAC2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane
SMILESCC(C)c1ccc(OCC2OCCO2)cc1
InChIInChI=1S/C13H18O3/c1-10(2)11-3-5-12(6-4-11)16-9-13-14-7-8-15-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyYNMWGUBMHQSHFZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.56
Rot. Bonds4

About 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane

2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane (PubChem CID 82080263) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane
PubChem CID82080263
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane
SMILESCC(C)c1ccc(OCC2OCCO2)cc1
InChIInChI=1S/C13H18O3/c1-10(2)11-3-5-12(6-4-11)16-9-13-14-7-8-15-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyYNMWGUBMHQSHFZ-UHFFFAOYSA-N
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol
CID 42849335
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
4-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)ethyl]aniline
CID 54799699
5-(1,3-dioxolan-2-ylmethoxy)-2-methyl-1-oxidopyridin-1-ium
CID 66631272
1-(fluoromethoxy)-4-propan-2-ylbenzene
CID 90078626
2-[1-(4-propan-2-ylphenoxy)butan-2-yloxymethyl]oxirane
CID 156746922
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 51623853
2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658
1-chloro-N-[(3R,4R)-3-[(4-propan-2-ylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 89036138
cumene;ethane;bis(2-(methoxymethyl)oxirane);tris(2-(phenoxymethyl)oxirane)
CID 158628224

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane (CID 82080263) is 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane is CC(C)c1ccc(OCC2OCCO2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane?
The InChIKey is YNMWGUBMHQSHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(2)11-3-5-12(6-4-11)16-9-13-14-7-8-15-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane?
2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 82080263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).