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

C21H18O4 — CID 73213330

IUPACethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1
InChIInChI=1S/C21H18O4/c1-3-23-21(22)18-13(2)25-17-11-10-14-7-4-5-8-15(14)19(17)20(18)16-9-6-12-24-16/h4-12,20H,3H2,1-2H3
InChIKeyLKJCEWDETAYAHH-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.79
Rot. Bonds3

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

ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate (PubChem CID 73213330) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
PubChem CID73213330
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Nameethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1
InChIInChI=1S/C21H18O4/c1-3-23-21(22)18-13(2)25-17-11-10-14-7-4-5-8-15(14)19(17)20(18)16-9-6-12-24-16/h4-12,20H,3H2,1-2H3
InChIKeyLKJCEWDETAYAHH-UHFFFAOYSA-N
XLogP4.79
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
The IUPAC name of ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate (CID 73213330) is ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate is CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2C1c1ccco1.
What is the InChIKey of ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
The InChIKey is LKJCEWDETAYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-3-23-21(22)18-13(2)25-17-11-10-14-7-4-5-8-15(14)19(17)20(18)16-9-6-12-24-16/h4-12,20H,3H2,1-2H3.
What are the key properties of ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate?
ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate is sourced from PubChem (CID 73213330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).