2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane

C17H24O3 — CID 152663687

IUPAC2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
SMILESc1cc(C2CCCCC2)ccc1OCCOCC1CO1
InChIInChI=1S/C17H24O3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-18-12-17-13-20-17/h6-9,14,17H,1-5,10-13H2
InChIKeyZKBPAVLNAJGGJG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.53
Rot. Bonds7

About 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane

2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane (PubChem CID 152663687) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
PubChem CID152663687
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
SMILESc1cc(C2CCCCC2)ccc1OCCOCC1CO1
InChIInChI=1S/C17H24O3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-18-12-17-13-20-17/h6-9,14,17H,1-5,10-13H2
InChIKeyZKBPAVLNAJGGJG-UHFFFAOYSA-N
XLogP3.53
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
CID 143216259
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
2-(4-cyclohexylphenoxy)ethylazanium
CID 7273660
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane (CID 152663687) is 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane is c1cc(C2CCCCC2)ccc1OCCOCC1CO1.
What is the InChIKey of 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane?
The InChIKey is ZKBPAVLNAJGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-18-12-17-13-20-17/h6-9,14,17H,1-5,10-13H2.
What are the key properties of 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane?
2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane has a molecular weight of 276.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane is sourced from PubChem (CID 152663687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).