2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane

C12H16O2 — CID 58065884

IUPAC2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
SMILESCOc1cccc(CCC2(C)CO2)c1
InChIInChI=1S/C12H16O2/c1-12(9-14-12)7-6-10-4-3-5-11(8-10)13-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyRDBJWYMBCNKMMS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.42
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane

2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane (PubChem CID 58065884) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
PubChem CID58065884
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
SMILESCOc1cccc(CCC2(C)CO2)c1
InChIInChI=1S/C12H16O2/c1-12(9-14-12)7-6-10-4-3-5-11(8-10)13-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyRDBJWYMBCNKMMS-UHFFFAOYSA-N
XLogP2.42
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
1-methoxy-3-propylbenzene
CID 14270128
1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
CID 10586534
[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 101207669
N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
CID 70592832
2-[(3-but-3-enylphenoxy)methyl]-2-methyloxirane
CID 101312435
2-[[3-[(E)-hept-5-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312521
magnesium;1-methoxy-3-propylbenzene;bromide
CID 14861069
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
2-[[3-[(E)-hexadec-14-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313104
[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249101
2-[[3-[(E)-hept-3-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312519

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane (CID 58065884) is 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane is COc1cccc(CCC2(C)CO2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane?
The InChIKey is RDBJWYMBCNKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(9-14-12)7-6-10-4-3-5-11(8-10)13-2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane?
2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane has a molecular weight of 192.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane is sourced from PubChem (CID 58065884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).