4-(3-fluoro-5-methoxyphenyl)benzoic acid

C14H11FO3 — CID 68930625

IUPAC4-(3-fluoro-5-methoxyphenyl)benzoic acid
SMILESCOc1cc(F)cc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H11FO3/c1-18-13-7-11(6-12(15)8-13)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyVMXWYRDXMSYRBG-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.20
Rot. Bonds3

About 4-(3-fluoro-5-methoxyphenyl)benzoic acid

4-(3-fluoro-5-methoxyphenyl)benzoic acid (PubChem CID 68930625) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxyphenyl)benzoic acid
PubChem CID68930625
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name4-(3-fluoro-5-methoxyphenyl)benzoic acid
SMILESCOc1cc(F)cc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H11FO3/c1-18-13-7-11(6-12(15)8-13)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyVMXWYRDXMSYRBG-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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Related Compounds

3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid
CID 53225661
[4-(3-fluoro-5-methoxyphenyl)phenyl]methanol
CID 170385205
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
CID 70699755
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxyphenyl)benzoic acid?
The IUPAC name of 4-(3-fluoro-5-methoxyphenyl)benzoic acid (CID 68930625) is 4-(3-fluoro-5-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-(3-fluoro-5-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-(3-fluoro-5-methoxyphenyl)benzoic acid is COc1cc(F)cc(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(3-fluoro-5-methoxyphenyl)benzoic acid?
The InChIKey is VMXWYRDXMSYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-13-7-11(6-12(15)8-13)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(3-fluoro-5-methoxyphenyl)benzoic acid?
4-(3-fluoro-5-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 4-(3-fluoro-5-methoxyphenyl)benzoic acid is sourced from PubChem (CID 68930625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).