methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate

C20H16O4 — CID 73213264

IUPACmethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
SMILESCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1
InChIInChI=1S/C20H16O4/c1-12-17(20(21)22-2)19(15-8-5-11-23-15)18-14-7-4-3-6-13(14)9-10-16(18)24-12/h3-11,19H,1-2H3
InChIKeyRFIXDGGFUQIHFL-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.40
Rot. Bonds2

About methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate

methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate (PubChem CID 73213264) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
PubChem CID73213264
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namemethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
SMILESCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1
InChIInChI=1S/C20H16O4/c1-12-17(20(21)22-2)19(15-8-5-11-23-15)18-14-7-4-3-6-13(14)9-10-16(18)24-12/h3-11,19H,1-2H3
InChIKeyRFIXDGGFUQIHFL-UHFFFAOYSA-N
XLogP4.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
The IUPAC name of methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate (CID 73213264) is methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate.
What is the SMILES notation for methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
The canonical SMILES for methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate is COC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1.
What is the InChIKey of methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
The InChIKey is RFIXDGGFUQIHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-12-17(20(21)22-2)19(15-8-5-11-23-15)18-14-7-4-3-6-13(14)9-10-16(18)24-12/h3-11,19H,1-2H3.
What are the key properties of methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate has a molecular weight of 320.34 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate is sourced from PubChem (CID 73213264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).