2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane

C10H10Cl2O3 — CID 58044663

IUPAC2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
SMILESCOc1cc(Cl)c(Cl)cc1OCC1CO1
InChIInChI=1S/C10H10Cl2O3/c1-13-9-2-7(11)8(12)3-10(9)15-5-6-4-14-6/h2-3,6H,4-5H2,1H3
InChIKeyGKAJUYNXBRLXRT-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.78
Rot. Bonds4

About 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane

2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane (PubChem CID 58044663) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
PubChem CID58044663
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
SMILESCOc1cc(Cl)c(Cl)cc1OCC1CO1
InChIInChI=1S/C10H10Cl2O3/c1-13-9-2-7(11)8(12)3-10(9)15-5-6-4-14-6/h2-3,6H,4-5H2,1H3
InChIKeyGKAJUYNXBRLXRT-UHFFFAOYSA-N
XLogP2.78
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
CID 89105920
2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
CID 163950191
(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
CID 124680795
4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline
CID 12799657
2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane
CID 16784964
2-[[6,12,19-triethoxy-13,20-bis(oxiran-2-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]oxirane
CID 102586513
3-methoxy-2-(oxiran-2-ylmethoxy)pyridine
CID 13195077
2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]oxirane
CID 83943215
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697
3-chloro-4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 130564095
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane?
The IUPAC name of 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane (CID 58044663) is 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane is COc1cc(Cl)c(Cl)cc1OCC1CO1.
What is the InChIKey of 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane?
The InChIKey is GKAJUYNXBRLXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-13-9-2-7(11)8(12)3-10(9)15-5-6-4-14-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane?
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane has a molecular weight of 249.09 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane is sourced from PubChem (CID 58044663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).