4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene

C18H21FO2 — CID 143812975

IUPAC4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene
SMILESCOCc1ccc(-c2ccc(F)cc2)cc1OCC(C)C
InChIInChI=1S/C18H21FO2/c1-13(2)11-21-18-10-15(4-5-16(18)12-20-3)14-6-8-17(19)9-7-14/h4-10,13H,11-12H2,1-3H3
InChIKeyRWAKLYOJXUWVPU-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene

4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene (PubChem CID 143812975) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene
PubChem CID143812975
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene
SMILESCOCc1ccc(-c2ccc(F)cc2)cc1OCC(C)C
InChIInChI=1S/C18H21FO2/c1-13(2)11-21-18-10-15(4-5-16(18)12-20-3)14-6-8-17(19)9-7-14/h4-10,13H,11-12H2,1-3H3
InChIKeyRWAKLYOJXUWVPU-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene?
The IUPAC name of 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene (CID 143812975) is 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene?
The canonical SMILES for 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene is COCc1ccc(-c2ccc(F)cc2)cc1OCC(C)C.
What is the InChIKey of 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene?
The InChIKey is RWAKLYOJXUWVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-13(2)11-21-18-10-15(4-5-16(18)12-20-3)14-6-8-17(19)9-7-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene?
4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene has a molecular weight of 288.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(methoxymethyl)-2-(2-methylpropoxy)benzene is sourced from PubChem (CID 143812975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).