(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate

C19H15FO3 — CID 7785264

IUPAC(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
SMILESCOc1ccc(COC(=O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C19H15FO3/c1-22-18-10-9-13(11-17(18)20)12-23-19(21)16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3
InChIKeyLVECZNVLVXHJME-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.34
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate

(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate (PubChem CID 7785264) has the molecular formula C19H15FO3 and a molecular weight of 310.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
PubChem CID7785264
Molecular FormulaC19H15FO3
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
SMILESCOc1ccc(COC(=O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C19H15FO3/c1-22-18-10-9-13(11-17(18)20)12-23-19(21)16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3
InChIKeyLVECZNVLVXHJME-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 7738777
(3-fluoro-4-methoxyphenyl)methyl 2-amino-4-chlorobenzoate
CID 60643048
(3-fluoro-4-methoxyphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832652
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239
(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate (CID 7785264) is (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate is COc1ccc(COC(=O)c2cccc3ccccc23)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate?
The InChIKey is LVECZNVLVXHJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3/c1-22-18-10-9-13(11-17(18)20)12-23-19(21)16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate has a molecular weight of 310.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate is sourced from PubChem (CID 7785264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).