2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane

C10H10Cl2O — CID 151472079

IUPAC2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane
SMILESCC1OC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-6-9(13-6)5-7-3-2-4-8(11)10(7)12/h2-4,6,9H,5H2,1H3
InChIKeyPKRMGBJDKOCZHB-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.32
Rot. Bonds2

About 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane

2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane (PubChem CID 151472079) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane
PubChem CID151472079
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane
SMILESCC1OC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-6-9(13-6)5-7-3-2-4-8(11)10(7)12/h2-4,6,9H,5H2,1H3
InChIKeyPKRMGBJDKOCZHB-UHFFFAOYSA-N
XLogP3.32
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.32
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-[(2,3-dichlorophenyl)methyl]-3-methyloxirane?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane (CID 151472079) is 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane is CC1OC1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane?
The InChIKey is PKRMGBJDKOCZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-6-9(13-6)5-7-3-2-4-8(11)10(7)12/h2-4,6,9H,5H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane?
2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane has a molecular weight of 217.09 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-3-methyloxirane is sourced from PubChem (CID 151472079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).