methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate

C17H15FO3 — CID 142415157

IUPACmethyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C3CC3)cc2)c(F)c1
InChIInChI=1S/C17H15FO3/c1-20-17(19)13-6-9-16(15(18)10-13)21-14-7-4-12(5-8-14)11-2-3-11/h4-11H,2-3H2,1H3
InChIKeyIDSMTKMSZMXIMB-UHFFFAOYSA-N
MW286.30 g/mol
LogP4.28
Rot. Bonds4

About methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate

methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate (PubChem CID 142415157) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
PubChem CID142415157
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Namemethyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C3CC3)cc2)c(F)c1
InChIInChI=1S/C17H15FO3/c1-20-17(19)13-6-9-16(15(18)10-13)21-14-7-4-12(5-8-14)11-2-3-11/h4-11H,2-3H2,1H3
InChIKeyIDSMTKMSZMXIMB-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
CID 146305948
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
methyl 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415335
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
methyl 4-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]benzoate
CID 142414802
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
ethane;methyl 4-bromobenzoate;methyl 4-cyclopropylbenzoate
CID 144872712
3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide
CID 146325722
methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
CID 68524349
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494
methyl 3-bromo-4-(4-chlorophenoxy)benzoate
CID 66666627

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate?
The IUPAC name of methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate (CID 142415157) is methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate.
What is the SMILES notation for methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate?
The canonical SMILES for methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate is COC(=O)c1ccc(Oc2ccc(C3CC3)cc2)c(F)c1.
What is the InChIKey of methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate?
The InChIKey is IDSMTKMSZMXIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-17(19)13-6-9-16(15(18)10-13)21-14-7-4-12(5-8-14)11-2-3-11/h4-11H,2-3H2,1H3.
What are the key properties of methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate?
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate has a molecular weight of 286.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate is sourced from PubChem (CID 142415157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).