methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate

C12H15FO4 — CID 169245923

IUPACmethyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1c(O)cc(C)c(F)c1OC(C)C
InChIInChI=1S/C12H15FO4/c1-6(2)17-11-9(12(15)16-4)8(14)5-7(3)10(11)13/h5-6,14H,1-4H3
InChIKeyRDJAWZDMSDTGGB-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.41
Rot. Bonds3

About methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate

methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate (PubChem CID 169245923) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
PubChem CID169245923
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Namemethyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1c(O)cc(C)c(F)c1OC(C)C
InChIInChI=1S/C12H15FO4/c1-6(2)17-11-9(12(15)16-4)8(14)5-7(3)10(11)13/h5-6,14H,1-4H3
InChIKeyRDJAWZDMSDTGGB-UHFFFAOYSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
CID 24786851
methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate
CID 24786970
methyl 5-tert-butyl-2-fluoro-6-hydroxy-3-methylbenzoate
CID 144982428
methyl 6-hydroxy-3,4-dimethyl-2-methylsulfanylbenzoate
CID 102436913
methyl 2,6-difluoro-3-methoxy-5-methylbenzoate
CID 90163848
methyl 3-amino-2,6-difluoro-5-methylbenzoate
CID 84669845
2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene
CID 143612370
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
methyl 2,3,6-trifluoro-4-hydroxybenzoate
CID 131118987
methyl 3-hydroxy-2-propan-2-yloxybenzoate
CID 69409235
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
CID 18470661

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate (CID 169245923) is methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate is COC(=O)c1c(O)cc(C)c(F)c1OC(C)C.
What is the InChIKey of methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate?
The InChIKey is RDJAWZDMSDTGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-6(2)17-11-9(12(15)16-4)8(14)5-7(3)10(11)13/h5-6,14H,1-4H3.
What are the key properties of methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate?
methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate has a molecular weight of 242.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate is sourced from PubChem (CID 169245923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).