2-(5-chloro-2-methoxy-3-methylphenyl)oxirane

C10H11ClO2 — CID 82282158

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)oxirane
SMILESCOc1c(C)cc(Cl)cc1C1CO1
InChIInChI=1S/C10H11ClO2/c1-6-3-7(11)4-8(9-5-13-9)10(6)12-2/h3-4,9H,5H2,1-2H3
InChIKeyUHXPDEXGZIABFJ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.73
Rot. Bonds2

About 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane

2-(5-chloro-2-methoxy-3-methylphenyl)oxirane (PubChem CID 82282158) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)oxirane
PubChem CID82282158
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)oxirane
SMILESCOc1c(C)cc(Cl)cc1C1CO1
InChIInChI=1S/C10H11ClO2/c1-6-3-7(11)4-8(9-5-13-9)10(6)12-2/h3-4,9H,5H2,1-2H3
InChIKeyUHXPDEXGZIABFJ-UHFFFAOYSA-N
XLogP2.73
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.73
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

2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
2-(5-chloro-2-methoxy-4-methylphenyl)oxirane
CID 82282154
2-(2-methoxy-3,5-dimethylphenyl)-5-methylmorpholine
CID 82291275
5-(3,5-dichloro-2-methoxyphenyl)-1,3-oxazolidine
CID 82480088
2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963
1-(5-chloro-2-methoxy-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3965656
3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
CID 82287755
3-chloro-2-methoxy-4-[(2R)-oxiran-2-yl]benzonitrile
CID 124560312
5-chloro-1-[cyclopropyl(difluoro)methyl]-2-methoxy-3-methylbenzene
CID 116841694
2-(5-chloro-2-methoxy-3-methylphenyl)propane-2-thiol
CID 116866596
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
1-(5-chloro-2-methoxy-3-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3973875

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane (CID 82282158) is 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane is COc1c(C)cc(Cl)cc1C1CO1.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane?
The InChIKey is UHXPDEXGZIABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-3-7(11)4-8(9-5-13-9)10(6)12-2/h3-4,9H,5H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane?
2-(5-chloro-2-methoxy-3-methylphenyl)oxirane has a molecular weight of 198.65 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-methylphenyl)oxirane is sourced from PubChem (CID 82282158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).