propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate

C12H15FO4 — CID 141376208

IUPACpropyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate
SMILESCCCOC(=O)Cc1cc(OC)c(O)cc1F
InChIInChI=1S/C12H15FO4/c1-3-4-17-12(15)6-8-5-11(16-2)10(14)7-9(8)13/h5,7,14H,3-4,6H2,1-2H3
InChIKeyFCDQICCLAPMWQW-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.04
Rot. Bonds5

About propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate

propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate (PubChem CID 141376208) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate.

Molecular Properties

Compound Namepropyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate
PubChem CID141376208
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Namepropyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate
SMILESCCCOC(=O)Cc1cc(OC)c(O)cc1F
InChIInChI=1S/C12H15FO4/c1-3-4-17-12(15)6-8-5-11(16-2)10(14)7-9(8)13/h5,7,14H,3-4,6H2,1-2H3
InChIKeyFCDQICCLAPMWQW-UHFFFAOYSA-N
XLogP2.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)acetate
CID 171008386
butyl 3-(2,4-dihydroxy-5-methoxyphenyl)propanoate
CID 123255123
4-(bromomethyl)-5-fluoro-2-methoxyphenol
CID 130756651
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387
butyl 2-(3,4-dihydroxy-5-methoxyphenyl)acetate
CID 135071124
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
CID 117280629
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134655699
ethyl 2-[2-(chloromethyl)-4-fluoro-5-methoxyphenyl]acetate
CID 171019465
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate?
The IUPAC name of propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate (CID 141376208) is propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate.
What is the SMILES notation for propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate?
The canonical SMILES for propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate is CCCOC(=O)Cc1cc(OC)c(O)cc1F.
What is the InChIKey of propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate?
The InChIKey is FCDQICCLAPMWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-3-4-17-12(15)6-8-5-11(16-2)10(14)7-9(8)13/h5,7,14H,3-4,6H2,1-2H3.
What are the key properties of propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate?
propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate has a molecular weight of 242.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate is sourced from PubChem (CID 141376208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).