methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate

C19H15FO3 — CID 24786970

IUPACmethyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate
SMILESCOC(=O)c1c(O)cc(C)c(F)c1-c1cccc2ccccc12
InChIInChI=1S/C19H15FO3/c1-11-10-15(21)17(19(22)23-2)16(18(11)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-10,21H,1-2H3
InChIKeyLYXWHAMZRJMMKW-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.45
Rot. Bonds2

About methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate

methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate (PubChem CID 24786970) has the molecular formula C19H15FO3 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate
PubChem CID24786970
Molecular FormulaC19H15FO3
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Namemethyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate
SMILESCOC(=O)c1c(O)cc(C)c(F)c1-c1cccc2ccccc12
InChIInChI=1S/C19H15FO3/c1-11-10-15(21)17(19(22)23-2)16(18(11)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-10,21H,1-2H3
InChIKeyLYXWHAMZRJMMKW-UHFFFAOYSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-fluoro-2-hydroxy-3,4-dimethyl-6-naphthalen-1-ylbenzoate
CID 24786853
methyl 3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
CID 24786851
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
methyl 2,5-dimethyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 691292
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
CID 169245923
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
CID 58553228
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate?
The IUPAC name of methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate (CID 24786970) is methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate.
What is the SMILES notation for methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate?
The canonical SMILES for methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate is COC(=O)c1c(O)cc(C)c(F)c1-c1cccc2ccccc12.
What is the InChIKey of methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate?
The InChIKey is LYXWHAMZRJMMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3/c1-11-10-15(21)17(19(22)23-2)16(18(11)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-10,21H,1-2H3.
What are the key properties of methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate?
methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate has a molecular weight of 310.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate is sourced from PubChem (CID 24786970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).