2-[3-(3-propan-2-ylphenoxy)propyl]oxane

C17H26O2 — CID 123154741

IUPAC2-[3-(3-propan-2-ylphenoxy)propyl]oxane
SMILESCC(C)c1cccc(OCCCC2CCCCO2)c1
InChIInChI=1S/C17H26O2/c1-14(2)15-7-5-9-17(13-15)19-12-6-10-16-8-3-4-11-18-16/h5,7,9,13-14,16H,3-4,6,8,10-12H2,1-2H3
InChIKeyIMYNBKOZQBEHCY-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.54
Rot. Bonds6

About 2-[3-(3-propan-2-ylphenoxy)propyl]oxane

2-[3-(3-propan-2-ylphenoxy)propyl]oxane (PubChem CID 123154741) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[3-(3-propan-2-ylphenoxy)propyl]oxane.

Molecular Properties

Compound Name2-[3-(3-propan-2-ylphenoxy)propyl]oxane
PubChem CID123154741
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[3-(3-propan-2-ylphenoxy)propyl]oxane
SMILESCC(C)c1cccc(OCCCC2CCCCO2)c1
InChIInChI=1S/C17H26O2/c1-14(2)15-7-5-9-17(13-15)19-12-6-10-16-8-3-4-11-18-16/h5,7,9,13-14,16H,3-4,6,8,10-12H2,1-2H3
InChIKeyIMYNBKOZQBEHCY-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62571805
2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane
CID 123988638
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine
CID 134064277
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propan-2-ylphenoxy)propyl]oxane?
The IUPAC name of 2-[3-(3-propan-2-ylphenoxy)propyl]oxane (CID 123154741) is 2-[3-(3-propan-2-ylphenoxy)propyl]oxane.
What is the SMILES notation for 2-[3-(3-propan-2-ylphenoxy)propyl]oxane?
The canonical SMILES for 2-[3-(3-propan-2-ylphenoxy)propyl]oxane is CC(C)c1cccc(OCCCC2CCCCO2)c1.
What is the InChIKey of 2-[3-(3-propan-2-ylphenoxy)propyl]oxane?
The InChIKey is IMYNBKOZQBEHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-14(2)15-7-5-9-17(13-15)19-12-6-10-16-8-3-4-11-18-16/h5,7,9,13-14,16H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of 2-[3-(3-propan-2-ylphenoxy)propyl]oxane?
2-[3-(3-propan-2-ylphenoxy)propyl]oxane has a molecular weight of 262.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-propan-2-ylphenoxy)propyl]oxane is sourced from PubChem (CID 123154741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).