(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol

C14H20O4 — CID 11149422

IUPAC(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
SMILESCOc1ccc(COCC[C@H]2O[C@H]2[C@H](C)O)cc1
InChIInChI=1S/C14H20O4/c1-10(15)14-13(18-14)7-8-17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13+,14-/m0/s1
InChIKeySEJKRCJWKGESDG-GDLCADMTSA-N
MW252.31 g/mol
LogP1.75
Rot. Bonds7

About (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol

(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol (PubChem CID 11149422) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
PubChem CID11149422
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
SMILESCOc1ccc(COCC[C@H]2O[C@H]2[C@H](C)O)cc1
InChIInChI=1S/C14H20O4/c1-10(15)14-13(18-14)7-8-17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13+,14-/m0/s1
InChIKeySEJKRCJWKGESDG-GDLCADMTSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
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

[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
(2S,3R)-2-(chloromethyl)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane
CID 102400251
(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane-2-carbaldehyde
CID 57060202
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(1R)-1-[(2S,3R)-3-[(4-bromophenyl)methoxymethyl]oxiran-2-yl]ethanol
CID 10869903
(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
CID 102281687
(4S,5R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-phenyl-1,3-dioxan-5-ol
CID 11313942
(2S,3R)-2-(chloromethyl)-3-[4-[(4-methoxyphenyl)methoxy]butyl]oxirane
CID 53495401
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol (CID 11149422) is (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol is COc1ccc(COCC[C@H]2O[C@H]2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol?
The InChIKey is SEJKRCJWKGESDG-GDLCADMTSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(15)14-13(18-14)7-8-17-9-11-3-5-12(16-2)6-4-11/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13+,14-/m0/s1.
What are the key properties of (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol?
(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol is sourced from PubChem (CID 11149422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).