(3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate

C18H13FO3 — CID 1248252

IUPAC(3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13FO3/c19-15-7-3-4-12(8-15)11-22-18(21)16-9-13-5-1-2-6-14(13)10-17(16)20/h1-10,20H,11H2
InChIKeyGFTVDONQYHNUOA-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.04
Rot. Bonds3

About (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate

(3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate (PubChem CID 1248252) has the molecular formula C18H13FO3 and a molecular weight of 296.30 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
PubChem CID1248252
Molecular FormulaC18H13FO3
Molecular Weight296.30 g/mol
Exact Mass296.08
IUPAC Name(3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13FO3/c19-15-7-3-4-12(8-15)11-22-18(21)16-9-13-5-1-2-6-14(13)10-17(16)20/h1-10,20H,11H2
InChIKeyGFTVDONQYHNUOA-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate (CID 1248252) is (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate is O=C(OCc1cccc(F)c1)c1cc2ccccc2cc1O.
What is the InChIKey of (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is GFTVDONQYHNUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO3/c19-15-7-3-4-12(8-15)11-22-18(21)16-9-13-5-1-2-6-14(13)10-17(16)20/h1-10,20H,11H2.
What are the key properties of (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
(3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 296.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 1248252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).