4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid

C17H17FO3 — CID 107014367

IUPAC4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
SMILESCC(C)c1ccc(COc2cc(F)ccc2C(=O)O)cc1
InChIInChI=1S/C17H17FO3/c1-11(2)13-5-3-12(4-6-13)10-21-16-9-14(18)7-8-15(16)17(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyFNRPQKZOXKQBMS-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.23
Rot. Bonds5

About 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid

4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid (PubChem CID 107014367) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
PubChem CID107014367
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
SMILESCC(C)c1ccc(COc2cc(F)ccc2C(=O)O)cc1
InChIInChI=1S/C17H17FO3/c1-11(2)13-5-3-12(4-6-13)10-21-16-9-14(18)7-8-15(16)17(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyFNRPQKZOXKQBMS-UHFFFAOYSA-N
XLogP4.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
CID 107014369
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
CID 113233041
2-[(4-propan-2-ylphenyl)methoxy]benzoic acid;(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
CID 158933022
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
4-fluoro-2-(2-methylpentoxy)benzoic acid
CID 107014556
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
4-(1-aminopropyl)-2-phenylmethoxybenzoic acid
CID 123417616
(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid
CID 66513242

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid?
The IUPAC name of 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid (CID 107014367) is 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid is CC(C)c1ccc(COc2cc(F)ccc2C(=O)O)cc1.
What is the InChIKey of 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid?
The InChIKey is FNRPQKZOXKQBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11(2)13-5-3-12(4-6-13)10-21-16-9-14(18)7-8-15(16)17(19)20/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid?
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid has a molecular weight of 288.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 107014367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).