methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate

C19H13FO4 — CID 8911360

IUPACmethyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OC(=O)c1cccc(F)c1
InChIInChI=1S/C19H13FO4/c1-23-19(22)16-10-12-5-2-3-6-13(12)11-17(16)24-18(21)14-7-4-8-15(20)9-14/h2-11H,1H3
InChIKeyGZLBFEAFQBHENK-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.98
Rot. Bonds3

About methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate

methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate (PubChem CID 8911360) has the molecular formula C19H13FO4 and a molecular weight of 324.31 g/mol. Its IUPAC name is methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate
PubChem CID8911360
Molecular FormulaC19H13FO4
Molecular Weight324.31 g/mol
Exact Mass324.08
IUPAC Namemethyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OC(=O)c1cccc(F)c1
InChIInChI=1S/C19H13FO4/c1-23-19(22)16-10-12-5-2-3-6-13(12)11-17(16)24-18(21)14-7-4-8-15(20)9-14/h2-11H,1H3
InChIKeyGZLBFEAFQBHENK-UHFFFAOYSA-N
XLogP3.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 3-fluorobenzoate
CID 521184
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
(3-acetamidophenyl) 3-fluorobenzoate
CID 8007869
3-(3-chlorobenzoyl)oxynaphthalene-2-carboxylic acid
CID 2818675
(3-fluorophenyl) 3-hydroxybenzoate
CID 174105662
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
(3-methoxycarbonylnaphthalen-2-yl) 2-chloropyridine-3-carboxylate
CID 52896231
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
(4-propylphenyl) 3-fluorobenzoate
CID 19175128
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate?
The IUPAC name of methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate (CID 8911360) is methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate is COC(=O)c1cc2ccccc2cc1OC(=O)c1cccc(F)c1.
What is the InChIKey of methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate?
The InChIKey is GZLBFEAFQBHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO4/c1-23-19(22)16-10-12-5-2-3-6-13(12)11-17(16)24-18(21)14-7-4-8-15(20)9-14/h2-11H,1H3.
What are the key properties of methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate?
methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate has a molecular weight of 324.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate is sourced from PubChem (CID 8911360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).