methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate

C16H15FO4 — CID 117244434

IUPACmethyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(COc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C16H15FO4/c1-20-16(19)14(13-4-2-3-5-15(13)18)10-21-12-8-6-11(17)7-9-12/h2-9,14,18H,10H2,1H3
InChIKeyKGKDFFSOGSYBSY-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.87
Rot. Bonds5

About methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate

methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate (PubChem CID 117244434) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
PubChem CID117244434
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Namemethyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
SMILESCOC(=O)C(COc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C16H15FO4/c1-20-16(19)14(13-4-2-3-5-15(13)18)10-21-12-8-6-11(17)7-9-12/h2-9,14,18H,10H2,1H3
InChIKeyKGKDFFSOGSYBSY-UHFFFAOYSA-N
XLogP2.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244430
methyl 3-(2-hydroxyphenoxy)-2-(2-methylphenyl)propanoate
CID 117244304
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
methyl 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentanoate
CID 117242234
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
CID 117244378
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate (CID 117244434) is methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate is COC(=O)C(COc1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate?
The InChIKey is KGKDFFSOGSYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-20-16(19)14(13-4-2-3-5-15(13)18)10-21-12-8-6-11(17)7-9-12/h2-9,14,18H,10H2,1H3.
What are the key properties of methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate?
methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate has a molecular weight of 290.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate is sourced from PubChem (CID 117244434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).