(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate

C18H13FO3 — CID 957131

IUPAC(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H13FO3/c19-14-8-5-12(6-9-14)11-22-18(21)16-10-7-13-3-1-2-4-15(13)17(16)20/h1-10,20H,11H2
InChIKeySWYXGXVUDKWTTP-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.04
Rot. Bonds3

About (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate

(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate (PubChem CID 957131) has the molecular formula C18H13FO3 and a molecular weight of 296.30 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
PubChem CID957131
Molecular FormulaC18H13FO3
Molecular Weight296.30 g/mol
Exact Mass296.08
IUPAC Name(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H13FO3/c19-14-8-5-12(6-9-14)11-22-18(21)16-10-7-13-3-1-2-4-15(13)17(16)20/h1-10,20H,11H2
InChIKeySWYXGXVUDKWTTP-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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Related Compounds

(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 163643445
(4-nitrophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 958589
[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558914
(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 46624622
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl carbamate
CID 175568006
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 7290825
(3,3-dimethyl-2-oxobutyl) 1-hydroxynaphthalene-2-carboxylate
CID 958586
tetradecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232785
octadecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232786
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558637
benzyl pyrene-1-carboxylate
CID 71374749

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate (CID 957131) is (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate is O=C(OCc1ccc(F)cc1)c1ccc2ccccc2c1O.
What is the InChIKey of (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is SWYXGXVUDKWTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO3/c19-14-8-5-12(6-9-14)11-22-18(21)16-10-7-13-3-1-2-4-15(13)17(16)20/h1-10,20H,11H2.
What are the key properties of (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
(4-fluorophenyl)methyl 1-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 (4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 957131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).