2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene

C18H18F2O2 — CID 67676075

IUPAC2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene
SMILESC=CCc1ccc(-c2ccc(COC)c(OC(F)F)c2)cc1
InChIInChI=1S/C18H18F2O2/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(12-21-2)17(11-15)22-18(19)20/h3,5-11,18H,1,4,12H2,2H3
InChIKeyLWHCEPYKKMLBOH-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.83
Rot. Bonds7

About 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene

2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene (PubChem CID 67676075) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene
PubChem CID67676075
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene
SMILESC=CCc1ccc(-c2ccc(COC)c(OC(F)F)c2)cc1
InChIInChI=1S/C18H18F2O2/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(12-21-2)17(11-15)22-18(19)20/h3,5-11,18H,1,4,12H2,2H3
InChIKeyLWHCEPYKKMLBOH-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene?
The IUPAC name of 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene (CID 67676075) is 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene?
The canonical SMILES for 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene is C=CCc1ccc(-c2ccc(COC)c(OC(F)F)c2)cc1.
What is the InChIKey of 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene?
The InChIKey is LWHCEPYKKMLBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(12-21-2)17(11-15)22-18(19)20/h3,5-11,18H,1,4,12H2,2H3.
What are the key properties of 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene?
2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene has a molecular weight of 304.34 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene is sourced from PubChem (CID 67676075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).