2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane

C16H24O2 — CID 123988638

IUPAC2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane
SMILESCC1CCC(CCOc2cccc(C(C)C)c2)O1
InChIInChI=1S/C16H24O2/c1-12(2)14-5-4-6-16(11-14)17-10-9-15-8-7-13(3)18-15/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyLVMPTNBALALJQN-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.15
Rot. Bonds5

About 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane

2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane (PubChem CID 123988638) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane.

Molecular Properties

Compound Name2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane
PubChem CID123988638
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane
SMILESCC1CCC(CCOc2cccc(C(C)C)c2)O1
InChIInChI=1S/C16H24O2/c1-12(2)14-5-4-6-16(11-14)17-10-9-15-8-7-13(3)18-15/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyLVMPTNBALALJQN-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135165
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2-[3-(3-propan-2-ylphenoxy)propyl]oxane
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(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
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CID 21131503
3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine
CID 134064277
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane?
The IUPAC name of 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane (CID 123988638) is 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane.
What is the SMILES notation for 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane?
The canonical SMILES for 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane is CC1CCC(CCOc2cccc(C(C)C)c2)O1.
What is the InChIKey of 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane?
The InChIKey is LVMPTNBALALJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)14-5-4-6-16(11-14)17-10-9-15-8-7-13(3)18-15/h4-6,11-13,15H,7-10H2,1-3H3.
What are the key properties of 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane?
2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane has a molecular weight of 248.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane is sourced from PubChem (CID 123988638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).