methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate

C19H17FO3 — CID 58406932

IUPACmethyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1c(C)cccc1F)=CC(C)O2
InChIInChI=1S/C19H17FO3/c1-11-5-4-6-16(20)18(11)15-9-12(2)23-17-8-7-13(10-14(15)17)19(21)22-3/h4-10,12H,1-3H3
InChIKeyLEPLYKULPDREPY-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.13
Rot. Bonds2

About methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate

methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate (PubChem CID 58406932) has the molecular formula C19H17FO3 and a molecular weight of 312.34 g/mol. Its IUPAC name is methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate
PubChem CID58406932
Molecular FormulaC19H17FO3
Molecular Weight312.34 g/mol
Exact Mass312.12
IUPAC Namemethyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1c(C)cccc1F)=CC(C)O2
InChIInChI=1S/C19H17FO3/c1-11-5-4-6-16(20)18(11)15-9-12(2)23-17-8-7-13(10-14(15)17)19(21)22-3/h4-10,12H,1-3H3
InChIKeyLEPLYKULPDREPY-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate?
The IUPAC name of methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate (CID 58406932) is methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate?
The canonical SMILES for methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(c1c(C)cccc1F)=CC(C)O2.
What is the InChIKey of methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate?
The InChIKey is LEPLYKULPDREPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3/c1-11-5-4-6-16(20)18(11)15-9-12(2)23-17-8-7-13(10-14(15)17)19(21)22-3/h4-10,12H,1-3H3.
What are the key properties of methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate?
methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate has a molecular weight of 312.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoro-6-methylphenyl)-2-methyl-2H-chromene-6-carboxylate is sourced from PubChem (CID 58406932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).