(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane

C13H18O4 — CID 11075490

IUPAC(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
SMILESCCOCCOc1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C13H18O4/c1-2-14-7-8-15-11-3-5-12(6-4-11)16-9-13-10-17-13/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyJGKUSJQXMQBLHE-CYBMUJFWSA-N
MW238.28 g/mol
LogP1.88
Rot. Bonds8

About (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane

(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane (PubChem CID 11075490) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
PubChem CID11075490
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
SMILESCCOCCOc1ccc(OC[C@@H]2CO2)cc1
InChIInChI=1S/C13H18O4/c1-2-14-7-8-15-11-3-5-12(6-4-11)16-9-13-10-17-13/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyJGKUSJQXMQBLHE-CYBMUJFWSA-N
XLogP1.88
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 87178534
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
CID 137484879
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
CID 143216259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane?
The IUPAC name of (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane (CID 11075490) is (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane is CCOCCOc1ccc(OC[C@@H]2CO2)cc1.
What is the InChIKey of (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane?
The InChIKey is JGKUSJQXMQBLHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-14-7-8-15-11-3-5-12(6-4-11)16-9-13-10-17-13/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane?
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane has a molecular weight of 238.28 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 11075490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).