methyl 4-fluoro-3-hydroxybenzoate

C8H7FO3 — CID 12016892

IUPACmethyl 4-fluoro-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C8H7FO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChIKeyCUGWNEOTLGLGDG-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.32
Rot. Bonds1

About methyl 4-fluoro-3-hydroxybenzoate

methyl 4-fluoro-3-hydroxybenzoate (PubChem CID 12016892) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is methyl 4-fluoro-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-hydroxybenzoate
PubChem CID12016892
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Namemethyl 4-fluoro-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C8H7FO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChIKeyCUGWNEOTLGLGDG-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 7456
CID 7456
CID 4133
CID 4133
CID 19539
CID 19539
CID 7420
CID 7420
CID 75787
CID 75787
CID 11461
CID 11461
CID 287064
CID 287064
CID 75076
CID 75076
CID 157032
CID 157032
CID 8487
CID 8487
CID 75077
CID 75077
CID 13013009
CID 13013009

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-hydroxybenzoate?
The IUPAC name of methyl 4-fluoro-3-hydroxybenzoate (CID 12016892) is methyl 4-fluoro-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-fluoro-3-hydroxybenzoate?
The canonical SMILES for methyl 4-fluoro-3-hydroxybenzoate is COC(=O)c1ccc(F)c(O)c1.
What is the InChIKey of methyl 4-fluoro-3-hydroxybenzoate?
The InChIKey is CUGWNEOTLGLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3.
What are the key properties of methyl 4-fluoro-3-hydroxybenzoate?
methyl 4-fluoro-3-hydroxybenzoate has a molecular weight of 170.14 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-hydroxybenzoate is sourced from PubChem (CID 12016892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).