2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid

C16H15FO3 — CID 82051629

IUPAC2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-11-8-13(9-16(18)19)4-7-15(11)20-10-12-2-5-14(17)6-3-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyHPSBQZSZXFUMLI-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.34
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid

2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid (PubChem CID 82051629) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
PubChem CID82051629
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-11-8-13(9-16(18)19)4-7-15(11)20-10-12-2-5-14(17)6-3-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyHPSBQZSZXFUMLI-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
4-chloro-1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]butan-1-one
CID 82051643
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
CID 123385522
2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid
CID 71256501
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobutanoic acid
CID 82051889
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid (CID 82051629) is 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid is Cc1cc(CC(=O)O)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid?
The InChIKey is HPSBQZSZXFUMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-8-13(9-16(18)19)4-7-15(11)20-10-12-2-5-14(17)6-3-12/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid?
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid has a molecular weight of 274.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid is sourced from PubChem (CID 82051629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).