2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid

C18H19FO2 — CID 143366044

IUPAC2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid
SMILESCCCc1ccc(-c2ccc(CC(=O)O)c(F)c2)c(C)c1
InChIInChI=1S/C18H19FO2/c1-3-4-13-5-8-16(12(2)9-13)14-6-7-15(11-18(20)21)17(19)10-14/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyUTRZQVJAATYGDS-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.38
Rot. Bonds5

About 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid

2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid (PubChem CID 143366044) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid
PubChem CID143366044
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid
SMILESCCCc1ccc(-c2ccc(CC(=O)O)c(F)c2)c(C)c1
InChIInChI=1S/C18H19FO2/c1-3-4-13-5-8-16(12(2)9-13)14-6-7-15(11-18(20)21)17(19)10-14/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyUTRZQVJAATYGDS-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-4-[2-methyl-4-(3-methylpentan-3-yl)phenyl]phenyl]acetic acid
CID 143366107
2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
2-[2-fluoro-4-[2-methyl-4-[3-[3-methyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
CID 88968238
2-[4-(2-bromoethyl)-2-methylphenyl]acetic acid
CID 176900475
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
3-[3-methyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propanoic acid
CID 118564200
1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene
CID 18513414
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid (CID 143366044) is 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid is CCCc1ccc(-c2ccc(CC(=O)O)c(F)c2)c(C)c1.
What is the InChIKey of 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid?
The InChIKey is UTRZQVJAATYGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-3-4-13-5-8-16(12(2)9-13)14-6-7-15(11-18(20)21)17(19)10-14/h5-10H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid?
2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid is sourced from PubChem (CID 143366044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).