propan-2-yl 2-hydroxy-5-methoxybenzoate

C11H14O4 — CID 60731005

IUPACpropan-2-yl 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OC(C)C)c1
InChIInChI=1S/C11H14O4/c1-7(2)15-11(13)9-6-8(14-3)4-5-10(9)12/h4-7,12H,1-3H3
InChIKeyCRIRJSGAULSVDB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.97
Rot. Bonds3

About propan-2-yl 2-hydroxy-5-methoxybenzoate

propan-2-yl 2-hydroxy-5-methoxybenzoate (PubChem CID 60731005) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-5-methoxybenzoate
PubChem CID60731005
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namepropan-2-yl 2-hydroxy-5-methoxybenzoate
SMILESCOc1ccc(O)c(C(=O)OC(C)C)c1
InChIInChI=1S/C11H14O4/c1-7(2)15-11(13)9-6-8(14-3)4-5-10(9)12/h4-7,12H,1-3H3
InChIKeyCRIRJSGAULSVDB-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
CID 82553050
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 7429908
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 7429785
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 41089045
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 51603440
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 40882857
propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
CID 12008335
1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 58728327
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-hydroxy-5-methoxybenzoate
CID 7716245

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-5-methoxybenzoate?
The IUPAC name of propan-2-yl 2-hydroxy-5-methoxybenzoate (CID 60731005) is propan-2-yl 2-hydroxy-5-methoxybenzoate.
What is the SMILES notation for propan-2-yl 2-hydroxy-5-methoxybenzoate?
The canonical SMILES for propan-2-yl 2-hydroxy-5-methoxybenzoate is COc1ccc(O)c(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 2-hydroxy-5-methoxybenzoate?
The InChIKey is CRIRJSGAULSVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(2)15-11(13)9-6-8(14-3)4-5-10(9)12/h4-7,12H,1-3H3.
What are the key properties of propan-2-yl 2-hydroxy-5-methoxybenzoate?
propan-2-yl 2-hydroxy-5-methoxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 60731005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).