2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate

C18H19FO3 — CID 82186361

IUPAC2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
SMILESCC(C)COC(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO3/c1-13(2)11-22-18(20)15-5-9-17(10-6-15)21-12-14-3-7-16(19)8-4-14/h3-10,13H,11-12H2,1-2H3
InChIKeyKPOUFGWBYJIHPR-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.22
Rot. Bonds6

About 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate

2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 82186361) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
PubChem CID82186361
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
SMILESCC(C)COC(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO3/c1-13(2)11-22-18(20)15-5-9-17(10-6-15)21-12-14-3-7-16(19)8-4-14/h3-10,13H,11-12H2,1-2H3
InChIKeyKPOUFGWBYJIHPR-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
butyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 13176542
[4-(2-methylpropoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17149614
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
2-methylpropyl 4-(hydroxymethyl)benzoate
CID 150293038
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
CID 54068292
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
CID 13340101
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
methyl 4-[[4-[(2R)-2-bromopropanoyl]phenoxy]methyl]benzoate
CID 97161564
2-methylpropyl 4-[[5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19148993
[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate
CID 19753341

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate (CID 82186361) is 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate is CC(C)COC(=O)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is KPOUFGWBYJIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-13(2)11-22-18(20)15-5-9-17(10-6-15)21-12-14-3-7-16(19)8-4-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate?
2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 302.35 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 82186361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).