3-(2-fluoro-3-methoxyphenyl)benzoic acid

C14H11FO3 — CID 53216650

IUPAC3-(2-fluoro-3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cccc(C(=O)O)c2)c1F
InChIInChI=1S/C14H11FO3/c1-18-12-7-3-6-11(13(12)15)9-4-2-5-10(8-9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeySCTCQZIYBGGKFX-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.20
Rot. Bonds3

About 3-(2-fluoro-3-methoxyphenyl)benzoic acid

3-(2-fluoro-3-methoxyphenyl)benzoic acid (PubChem CID 53216650) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)benzoic acid
PubChem CID53216650
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name3-(2-fluoro-3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cccc(C(=O)O)c2)c1F
InChIInChI=1S/C14H11FO3/c1-18-12-7-3-6-11(13(12)15)9-4-2-5-10(8-9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeySCTCQZIYBGGKFX-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)benzoic acid?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)benzoic acid (CID 53216650) is 3-(2-fluoro-3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)benzoic acid is COc1cccc(-c2cccc(C(=O)O)c2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)benzoic acid?
The InChIKey is SCTCQZIYBGGKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-12-7-3-6-11(13(12)15)9-4-2-5-10(8-9)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)benzoic acid?
3-(2-fluoro-3-methoxyphenyl)benzoic acid has a molecular weight of 246.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53216650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).