5-(2,4-difluorophenyl)-2-propylbenzoic acid

C16H14F2O2 — CID 130399404

IUPAC5-(2,4-difluorophenyl)-2-propylbenzoic acid
SMILESCCCc1ccc(-c2ccc(F)cc2F)cc1C(=O)O
InChIInChI=1S/C16H14F2O2/c1-2-3-10-4-5-11(8-14(10)16(19)20)13-7-6-12(17)9-15(13)18/h4-9H,2-3H2,1H3,(H,19,20)
InChIKeyMNESTUMSPIDUNT-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.28
Rot. Bonds4

About 5-(2,4-difluorophenyl)-2-propylbenzoic acid

5-(2,4-difluorophenyl)-2-propylbenzoic acid (PubChem CID 130399404) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-propylbenzoic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-propylbenzoic acid
PubChem CID130399404
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name5-(2,4-difluorophenyl)-2-propylbenzoic acid
SMILESCCCc1ccc(-c2ccc(F)cc2F)cc1C(=O)O
InChIInChI=1S/C16H14F2O2/c1-2-3-10-4-5-11(8-14(10)16(19)20)13-7-6-12(17)9-15(13)18/h4-9H,2-3H2,1H3,(H,19,20)
InChIKeyMNESTUMSPIDUNT-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,4-difluorophenyl)-2-(2-sulfanylethyl)benzoic acid
CID 145031901
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
4-(2,4-difluorophenyl)-2-(4-heptylphenyl)benzoic acid
CID 158231755
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
4-(2,4-difluorophenyl)-2-ethylphenol
CID 59810220
2-[8-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]octoxy]-5-(2,4-difluorophenyl)benzoic acid
CID 11763391
5-(2,4-difluorophenyl)-2-methylsulfanylcarbonyloxybenzoic acid
CID 144552933
5-(2,4-difluorophenyl)-1-ethylindole-3-carboxylic acid
CID 172654774
5-fluoro-2-(3-propylphenyl)benzoic acid
CID 116545164

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-propylbenzoic acid?
The IUPAC name of 5-(2,4-difluorophenyl)-2-propylbenzoic acid (CID 130399404) is 5-(2,4-difluorophenyl)-2-propylbenzoic acid.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-propylbenzoic acid?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-propylbenzoic acid is CCCc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-propylbenzoic acid?
The InChIKey is MNESTUMSPIDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-2-3-10-4-5-11(8-14(10)16(19)20)13-7-6-12(17)9-15(13)18/h4-9H,2-3H2,1H3,(H,19,20).
What are the key properties of 5-(2,4-difluorophenyl)-2-propylbenzoic acid?
5-(2,4-difluorophenyl)-2-propylbenzoic acid has a molecular weight of 276.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-propylbenzoic acid is sourced from PubChem (CID 130399404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).