methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate

C18H15FO3 — CID 58406673

IUPACmethyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate
SMILESCOC(=O)c1cc(F)c2c(c1)C(c1ccccc1C)=CCO2
InChIInChI=1S/C18H15FO3/c1-11-5-3-4-6-13(11)14-7-8-22-17-15(14)9-12(10-16(17)19)18(20)21-2/h3-7,9-10H,8H2,1-2H3
InChIKeyOFDQEWWQWLAKSC-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.74
Rot. Bonds2

About methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate

methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate (PubChem CID 58406673) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate
PubChem CID58406673
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Namemethyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate
SMILESCOC(=O)c1cc(F)c2c(c1)C(c1ccccc1C)=CCO2
InChIInChI=1S/C18H15FO3/c1-11-5-3-4-6-13(11)14-7-8-22-17-15(14)9-12(10-16(17)19)18(20)21-2/h3-7,9-10H,8H2,1-2H3
InChIKeyOFDQEWWQWLAKSC-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate?
The IUPAC name of methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate (CID 58406673) is methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate.
What is the SMILES notation for methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate?
The canonical SMILES for methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate is COC(=O)c1cc(F)c2c(c1)C(c1ccccc1C)=CCO2.
What is the InChIKey of methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate?
The InChIKey is OFDQEWWQWLAKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO3/c1-11-5-3-4-6-13(11)14-7-8-22-17-15(14)9-12(10-16(17)19)18(20)21-2/h3-7,9-10H,8H2,1-2H3.
What are the key properties of methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate?
methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate has a molecular weight of 298.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-4-(2-methylphenyl)-2H-chromene-6-carboxylate is sourced from PubChem (CID 58406673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).