methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate

C20H14ClFO5 — CID 141483160

IUPACmethyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate
SMILESCOC(=O)C1(F)C(=O)c2ccc3occ(C)c3c2OC1c1cccc(Cl)c1
InChIInChI=1S/C20H14ClFO5/c1-10-9-26-14-7-6-13-16(15(10)14)27-18(11-4-3-5-12(21)8-11)20(22,17(13)23)19(24)25-2/h3-9,18H,1-2H3
InChIKeyASLZUHPZUUKEQU-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.59
Rot. Bonds2

About methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate

methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate (PubChem CID 141483160) has the molecular formula C20H14ClFO5 and a molecular weight of 388.78 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate
PubChem CID141483160
Molecular FormulaC20H14ClFO5
Molecular Weight388.78 g/mol
Exact Mass388.05
IUPAC Namemethyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate
SMILESCOC(=O)C1(F)C(=O)c2ccc3occ(C)c3c2OC1c1cccc(Cl)c1
InChIInChI=1S/C20H14ClFO5/c1-10-9-26-14-7-6-13-16(15(10)14)27-18(11-4-3-5-12(21)8-11)20(22,17(13)23)19(24)25-2/h3-9,18H,1-2H3
InChIKeyASLZUHPZUUKEQU-UHFFFAOYSA-N
XLogP4.59
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate?
The IUPAC name of methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate (CID 141483160) is methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate.
What is the SMILES notation for methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate?
The canonical SMILES for methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate is COC(=O)C1(F)C(=O)c2ccc3occ(C)c3c2OC1c1cccc(Cl)c1.
What is the InChIKey of methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate?
The InChIKey is ASLZUHPZUUKEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFO5/c1-10-9-26-14-7-6-13-16(15(10)14)27-18(11-4-3-5-12(21)8-11)20(22,17(13)23)19(24)25-2/h3-9,18H,1-2H3.
What are the key properties of methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate?
methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate has a molecular weight of 388.78 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)-3-fluoro-9-methyl-4-oxo-2H-furo[2,3-h]chromene-3-carboxylate is sourced from PubChem (CID 141483160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).