2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane

C11H13ClO — CID 151349350

IUPAC2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane
SMILESCc1c(Cl)cccc1C1(C)OC1C
InChIInChI=1S/C11H13ClO/c1-7-9(5-4-6-10(7)12)11(3)8(2)13-11/h4-6,8H,1-3H3
InChIKeyOMDNQUVIPDNZSR-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.28
Rot. Bonds1

About 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane

2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane (PubChem CID 151349350) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane
PubChem CID151349350
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane
SMILESCc1c(Cl)cccc1C1(C)OC1C
InChIInChI=1S/C11H13ClO/c1-7-9(5-4-6-10(7)12)11(3)8(2)13-11/h4-6,8H,1-3H3
InChIKeyOMDNQUVIPDNZSR-UHFFFAOYSA-N
XLogP3.28
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane (CID 151349350) is 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane is Cc1c(Cl)cccc1C1(C)OC1C.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane?
The InChIKey is OMDNQUVIPDNZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-7-9(5-4-6-10(7)12)11(3)8(2)13-11/h4-6,8H,1-3H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane?
2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane has a molecular weight of 196.68 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)-2,3-dimethyloxirane is sourced from PubChem (CID 151349350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).