methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate

C14H11FO3 — CID 53218667

IUPACmethyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2)cc1F
InChIInChI=1S/C14H11FO3/c1-18-14(17)12-6-5-10(8-13(12)15)9-3-2-4-11(16)7-9/h2-8,16H,1H3
InChIKeyKVKDUDOONOVHOM-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.98
Rot. Bonds2

About methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate

methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate (PubChem CID 53218667) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
PubChem CID53218667
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Namemethyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(O)c2)cc1F
InChIInChI=1S/C14H11FO3/c1-18-14(17)12-6-5-10(8-13(12)15)9-3-2-4-11(16)7-9/h2-8,16H,1H3
InChIKeyKVKDUDOONOVHOM-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541
methyl 4-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168604281
methyl 2-fluoro-4-(4-isocyanatophenyl)benzoate
CID 169355226
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate?
The IUPAC name of methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate (CID 53218667) is methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate is COC(=O)c1ccc(-c2cccc(O)c2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate?
The InChIKey is KVKDUDOONOVHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-14(17)12-6-5-10(8-13(12)15)9-3-2-4-11(16)7-9/h2-8,16H,1H3.
What are the key properties of methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate?
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate has a molecular weight of 246.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate is sourced from PubChem (CID 53218667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).