(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane

C12H16O3 — CID 97180222

IUPAC(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
SMILESCOc1ccccc1[C@H](C)OC[C@H]1CO1
InChIInChI=1S/C12H16O3/c1-9(14-7-10-8-15-10)11-5-3-4-6-12(11)13-2/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyXNOGOVWXTOESSL-UWVGGRQHSA-N
MW208.26 g/mol
LogP2.17
Rot. Bonds5

About (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane

(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane (PubChem CID 97180222) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
PubChem CID97180222
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
SMILESCOc1ccccc1[C@H](C)OC[C@H]1CO1
InChIInChI=1S/C12H16O3/c1-9(14-7-10-8-15-10)11-5-3-4-6-12(11)13-2/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyXNOGOVWXTOESSL-UWVGGRQHSA-N
XLogP2.17
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
CID 58662610
(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane
CID 89232851
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
(2R)-2-[[(1S)-1-(3,4-dimethoxyphenyl)ethoxy]methyl]oxirane
CID 97180237
2-[1-(3,4-dimethoxyphenyl)ethoxymethyl]oxirane
CID 102548273
(2R)-2-[[(1R)-1-[2-bromo-3-(difluoromethoxy)phenyl]ethoxy]methyl]oxirane
CID 58572534
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
CID 58572701
2-[[(1R)-1-(2-bromo-3-methoxyphenyl)butoxy]methyl]oxirane
CID 58572465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane (CID 97180222) is (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane is COc1ccccc1[C@H](C)OC[C@H]1CO1.
What is the InChIKey of (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane?
The InChIKey is XNOGOVWXTOESSL-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(14-7-10-8-15-10)11-5-3-4-6-12(11)13-2/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane?
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane has a molecular weight of 208.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane is sourced from PubChem (CID 97180222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).