2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid

C16H15FO2 — CID 64984855

IUPAC2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(F)c(C(=O)O)c2)cc1C
InChIInChI=1S/C16H15FO2/c1-9-6-11(3)13(7-10(9)2)12-4-5-15(17)14(8-12)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyCNRRXDNIRXHTRA-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.12
Rot. Bonds2

About 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid

2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid (PubChem CID 64984855) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
PubChem CID64984855
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(F)c(C(=O)O)c2)cc1C
InChIInChI=1S/C16H15FO2/c1-9-6-11(3)13(7-10(9)2)12-4-5-15(17)14(8-12)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyCNRRXDNIRXHTRA-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755403
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-methyl-5-(2,3,4-trifluorophenyl)benzoic acid
CID 65309587
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
2-fluoro-4-(2,4,5-trimethylphenyl)phenol
CID 83130451
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid?
The IUPAC name of 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid (CID 64984855) is 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid is Cc1cc(C)c(-c2ccc(F)c(C(=O)O)c2)cc1C.
What is the InChIKey of 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid?
The InChIKey is CNRRXDNIRXHTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-9-6-11(3)13(7-10(9)2)12-4-5-15(17)14(8-12)16(18)19/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid?
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid has a molecular weight of 258.29 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid is sourced from PubChem (CID 64984855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).