5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid

C17H17FO4 — CID 141305036

IUPAC5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(OCc2ccccc2F)cc1C(=O)O
InChIInChI=1S/C17H17FO4/c1-11(2)22-16-8-7-13(9-14(16)17(19)20)21-10-12-5-3-4-6-15(12)18/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyPZXTWCSHGKHKQL-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.89
Rot. Bonds6

About 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid

5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid (PubChem CID 141305036) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
PubChem CID141305036
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(OCc2ccccc2F)cc1C(=O)O
InChIInChI=1S/C17H17FO4/c1-11(2)22-16-8-7-13(9-14(16)17(19)20)21-10-12-5-3-4-6-15(12)18/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyPZXTWCSHGKHKQL-UHFFFAOYSA-N
XLogP3.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141216465
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(3-bromo-4-fluorophenoxy)methyl]benzoic acid
CID 83233799
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
5-phenyl-2-propan-2-yloxybenzoic acid
CID 83969126
5-propan-2-yloxy-2-(2,4,5-trifluorophenyl)benzoic acid
CID 172651642
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004
[3-[(2-fluorophenyl)methoxy]phenyl] carbamate
CID 175148405

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid (CID 141305036) is 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(OCc2ccccc2F)cc1C(=O)O.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
The InChIKey is PZXTWCSHGKHKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-11(2)22-16-8-7-13(9-14(16)17(19)20)21-10-12-5-3-4-6-15(12)18/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid has a molecular weight of 304.32 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid is sourced from PubChem (CID 141305036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).