1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene

C16H20Cl2O2 — CID 101026264

IUPAC1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COCC2C(C=C(Cl)Cl)C2(C)C)cc1
InChIInChI=1S/C16H20Cl2O2/c1-16(2)13(8-15(17)18)14(16)10-20-9-11-4-6-12(19-3)7-5-11/h4-8,13-14H,9-10H2,1-3H3
InChIKeyUYLUVEXDAPVGEF-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.80
Rot. Bonds6

About 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene

1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene (PubChem CID 101026264) has the molecular formula C16H20Cl2O2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene
PubChem CID101026264
Molecular FormulaC16H20Cl2O2
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Name1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COCC2C(C=C(Cl)Cl)C2(C)C)cc1
InChIInChI=1S/C16H20Cl2O2/c1-16(2)13(8-15(17)18)14(16)10-20-9-11-4-6-12(19-3)7-5-11/h4-8,13-14H,9-10H2,1-3H3
InChIKeyUYLUVEXDAPVGEF-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene (CID 101026264) is 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene is COc1ccc(COCC2C(C=C(Cl)Cl)C2(C)C)cc1.
What is the InChIKey of 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene?
The InChIKey is UYLUVEXDAPVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O2/c1-16(2)13(8-15(17)18)14(16)10-20-9-11-4-6-12(19-3)7-5-11/h4-8,13-14H,9-10H2,1-3H3.
What are the key properties of 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene?
1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene has a molecular weight of 315.24 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methoxymethyl]-4-methoxybenzene is sourced from PubChem (CID 101026264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).