propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate

C10H10ClFO3 — CID 90322649

IUPACpropan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)c(Cl)c1F
InChIInChI=1S/C10H10ClFO3/c1-5(2)15-10(14)6-3-4-7(13)8(11)9(6)12/h3-5,13H,1-2H3
InChIKeyRQHOOLMWIXKVBS-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.75
Rot. Bonds2

About propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate

propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate (PubChem CID 90322649) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate
PubChem CID90322649
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Namepropan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)c(Cl)c1F
InChIInChI=1S/C10H10ClFO3/c1-5(2)15-10(14)6-3-4-7(13)8(11)9(6)12/h3-5,13H,1-2H3
InChIKeyRQHOOLMWIXKVBS-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 11735652
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
propan-2-yl 2-amino-3-chloro-4-(difluoromethyl)benzoate
CID 104721946
dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate
CID 141177939
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
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2-chloro-3-fluoro-4-propan-2-ylphenol
CID 137471064
propan-2-yl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65380009
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
propan-2-yl 2-chloro-4-(trifluoromethoxy)benzoate
CID 133054468
propan-2-yl 2-chloro-5-fluoro-3-(trifluoromethyl)benzoate
CID 146035158
propan-2-yl 2-chloro-4-fluoro-5-methylbenzoate
CID 22955956

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate?
The IUPAC name of propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate (CID 90322649) is propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate.
What is the SMILES notation for propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate?
The canonical SMILES for propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate is CC(C)OC(=O)c1ccc(O)c(Cl)c1F.
What is the InChIKey of propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate?
The InChIKey is RQHOOLMWIXKVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-5(2)15-10(14)6-3-4-7(13)8(11)9(6)12/h3-5,13H,1-2H3.
What are the key properties of propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate?
propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate has a molecular weight of 232.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate is sourced from PubChem (CID 90322649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).