3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid

C13H15FO3 — CID 117096689

IUPAC3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
SMILESCC1(Oc2ccc(C(=O)O)cc2F)CCCC1
InChIInChI=1S/C13H15FO3/c1-13(6-2-3-7-13)17-11-5-4-9(12(15)16)8-10(11)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyLCAKYJJROJRHME-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.24
Rot. Bonds3

About 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid

3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid (PubChem CID 117096689) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
PubChem CID117096689
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
SMILESCC1(Oc2ccc(C(=O)O)cc2F)CCCC1
InChIInChI=1S/C13H15FO3/c1-13(6-2-3-7-13)17-11-5-4-9(12(15)16)8-10(11)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyLCAKYJJROJRHME-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid?
The IUPAC name of 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid (CID 117096689) is 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid.
What is the SMILES notation for 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid?
The canonical SMILES for 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid is CC1(Oc2ccc(C(=O)O)cc2F)CCCC1.
What is the InChIKey of 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid?
The InChIKey is LCAKYJJROJRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-13(6-2-3-7-13)17-11-5-4-9(12(15)16)8-10(11)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid?
3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid has a molecular weight of 238.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid is sourced from PubChem (CID 117096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).