methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate

C17H17FO4 — CID 10733286

IUPACmethyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate
SMILESCCCc1c(O)cccc1Oc1cccc(F)c1C(=O)OC
InChIInChI=1S/C17H17FO4/c1-3-6-11-13(19)8-5-9-14(11)22-15-10-4-7-12(18)16(15)17(20)21-2/h4-5,7-10,19H,3,6H2,1-2H3
InChIKeyLCNWPQKBDUJVOD-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.06
Rot. Bonds5

About methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate

methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate (PubChem CID 10733286) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate
PubChem CID10733286
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate
SMILESCCCc1c(O)cccc1Oc1cccc(F)c1C(=O)OC
InChIInChI=1S/C17H17FO4/c1-3-6-11-13(19)8-5-9-14(11)22-15-10-4-7-12(18)16(15)17(20)21-2/h4-5,7-10,19H,3,6H2,1-2H3
InChIKeyLCNWPQKBDUJVOD-UHFFFAOYSA-N
XLogP4.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,6-difluorobenzoate;tricosane
CID 174987111
3-methoxy-2-propylphenol
CID 10607156
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507
methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
CID 54149611
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
dimethyl 2-propylbenzene-1,3-dicarboxylate
CID 131888710
methyl 2-fluorooxy-6-hydroxybenzoate
CID 163376786
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
carbamic acid;1,3-difluoro-2-propylbenzene;methoxymethanol
CID 144705849
methyl 2-[3-[5-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]pentoxy]-2-propylphenoxy]benzoate
CID 10579225

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate?
The IUPAC name of methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate (CID 10733286) is methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate.
What is the SMILES notation for methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate?
The canonical SMILES for methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate is CCCc1c(O)cccc1Oc1cccc(F)c1C(=O)OC.
What is the InChIKey of methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate?
The InChIKey is LCNWPQKBDUJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-3-6-11-13(19)8-5-9-14(11)22-15-10-4-7-12(18)16(15)17(20)21-2/h4-5,7-10,19H,3,6H2,1-2H3.
What are the key properties of methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate?
methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate has a molecular weight of 304.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate is sourced from PubChem (CID 10733286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).