3-fluoro-4-(4-formylphenyl)benzoic acid

C14H9FO3 — CID 53225174

IUPAC3-fluoro-4-(4-formylphenyl)benzoic acid
SMILESO=Cc1ccc(-c2ccc(C(=O)O)cc2F)cc1
InChIInChI=1S/C14H9FO3/c15-13-7-11(14(17)18)5-6-12(13)10-3-1-9(8-16)2-4-10/h1-8H,(H,17,18)
InChIKeySGWIJMSLNUZJOB-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.00
Rot. Bonds3

About 3-fluoro-4-(4-formylphenyl)benzoic acid

3-fluoro-4-(4-formylphenyl)benzoic acid (PubChem CID 53225174) has the molecular formula C14H9FO3 and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-fluoro-4-(4-formylphenyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(4-formylphenyl)benzoic acid
PubChem CID53225174
Molecular FormulaC14H9FO3
Molecular Weight244.22 g/mol
Exact Mass244.05
IUPAC Name3-fluoro-4-(4-formylphenyl)benzoic acid
SMILESO=Cc1ccc(-c2ccc(C(=O)O)cc2F)cc1
InChIInChI=1S/C14H9FO3/c15-13-7-11(14(17)18)5-6-12(13)10-3-1-9(8-16)2-4-10/h1-8H,(H,17,18)
InChIKeySGWIJMSLNUZJOB-UHFFFAOYSA-N
XLogP3.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
4-(2-fluoro-4-hydroxyphenyl)benzaldehyde
CID 52983987
3-fluoro-4-(4-prop-2-enylphenyl)benzoic acid
CID 67697446
4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
CID 90463094
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
azanium 4-formylbenzoic acid
CID 21271797
3-fluoro-4-(2,4,5-trifluorophenyl)benzoic acid
CID 115503073
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890
4-[2-fluoro-4-(3-oxopropyl)phenyl]benzaldehyde
CID 145122990
4-methylbenzaldehyde;4-methylbenzoic acid;1,4-xylene
CID 20553533

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-formylphenyl)benzoic acid?
The IUPAC name of 3-fluoro-4-(4-formylphenyl)benzoic acid (CID 53225174) is 3-fluoro-4-(4-formylphenyl)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(4-formylphenyl)benzoic acid?
The canonical SMILES for 3-fluoro-4-(4-formylphenyl)benzoic acid is O=Cc1ccc(-c2ccc(C(=O)O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-(4-formylphenyl)benzoic acid?
The InChIKey is SGWIJMSLNUZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3/c15-13-7-11(14(17)18)5-6-12(13)10-3-1-9(8-16)2-4-10/h1-8H,(H,17,18).
What are the key properties of 3-fluoro-4-(4-formylphenyl)benzoic acid?
3-fluoro-4-(4-formylphenyl)benzoic acid has a molecular weight of 244.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-formylphenyl)benzoic acid is sourced from PubChem (CID 53225174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).