2-(3-methylphenoxy)oxirane

C9H10O2 — CID 89025102

IUPAC2-(3-methylphenoxy)oxirane
SMILESCc1cccc(OC2CO2)c1
InChIInChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)11-9-6-10-9/h2-5,9H,6H2,1H3
InChIKeySBBGCCGQIMAAIC-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.73
Rot. Bonds2

About 2-(3-methylphenoxy)oxirane

2-(3-methylphenoxy)oxirane (PubChem CID 89025102) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(3-methylphenoxy)oxirane.

Molecular Properties

Compound Name2-(3-methylphenoxy)oxirane
PubChem CID89025102
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-(3-methylphenoxy)oxirane
SMILESCc1cccc(OC2CO2)c1
InChIInChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)11-9-6-10-9/h2-5,9H,6H2,1H3
InChIKeySBBGCCGQIMAAIC-UHFFFAOYSA-N
XLogP1.73
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.73
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

(3-methylphenoxy)cyclononane
CID 145391482
3-(3-methylphenoxy)oxolan-2-one
CID 71360233
CID 54190033
CID 54190033
5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 115030262
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-methylphenoxy)oxane-2,4,5-triol
CID 21128476
1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514
sodium bis(3-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 88813408
3-[3-(3-methylphenyl)phenoxy]azetidine
CID 46204424
2-methyl-3-[(3-methylphenoxy)methyl]oxirane
CID 12882728
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;1,3-xylene
CID 126511463

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)oxirane?
The IUPAC name of 2-(3-methylphenoxy)oxirane (CID 89025102) is 2-(3-methylphenoxy)oxirane.
What is the SMILES notation for 2-(3-methylphenoxy)oxirane?
The canonical SMILES for 2-(3-methylphenoxy)oxirane is Cc1cccc(OC2CO2)c1.
What is the InChIKey of 2-(3-methylphenoxy)oxirane?
The InChIKey is SBBGCCGQIMAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)11-9-6-10-9/h2-5,9H,6H2,1H3.
What are the key properties of 2-(3-methylphenoxy)oxirane?
2-(3-methylphenoxy)oxirane has a molecular weight of 150.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)oxirane is sourced from PubChem (CID 89025102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).