5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid

C10H10ClFO3 — CID 118331973

IUPAC5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(F)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H10ClFO3/c1-5(2)15-9-4-8(12)7(11)3-6(9)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeySIHDWVRFHVJEGD-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.96
Rot. Bonds3

About 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid

5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid (PubChem CID 118331973) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
PubChem CID118331973
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(F)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H10ClFO3/c1-5(2)15-9-4-8(12)7(11)3-6(9)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeySIHDWVRFHVJEGD-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
5-chloro-4-fluoro-2-hydroxybenzoic acid;5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid;6-(5-chloro-4-fluoro-2-propan-2-yloxyphenyl)-3-hydroxy-3-methyl-6-oxohexanoic acid;methyl 5-chloro-4-fluoro-2-hydroxybenzoate;methyl 5-chloro-4-fluoro-2-propan-2-yloxybenzoate
CID 160655749
1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
CID 83899914
2-chloro-5-iodo-4-propan-2-yloxybenzoic acid
CID 58801717
2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid
CID 164893503
propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate
CID 82553210
(E)-4-(4,5-dichloro-2-propan-2-yloxyphenyl)-4-oxobut-2-enoic acid
CID 82553860
2-(bromomethyl)-4-chloro-5-fluorobenzoic acid
CID 171019929
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone
CID 82553847
4-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 164827443
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid?
The IUPAC name of 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid (CID 118331973) is 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid.
What is the SMILES notation for 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid?
The canonical SMILES for 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid is CC(C)Oc1cc(F)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid?
The InChIKey is SIHDWVRFHVJEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-5(2)15-9-4-8(12)7(11)3-6(9)10(13)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid?
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid has a molecular weight of 232.64 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid is sourced from PubChem (CID 118331973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).