7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one

C19H15ClO3 — CID 25148237

IUPAC7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
SMILESCc1coc2c(C)c3c(cc12)C(=O)CC(c1ccc(Cl)cc1)O3
InChIInChI=1S/C19H15ClO3/c1-10-9-22-18-11(2)19-15(7-14(10)18)16(21)8-17(23-19)12-3-5-13(20)6-4-12/h3-7,9,17H,8H2,1-2H3
InChIKeyJPDADMBCYPBKJZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP5.41
Rot. Bonds1

About 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one

7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 25148237) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
PubChem CID25148237
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one
SMILESCc1coc2c(C)c3c(cc12)C(=O)CC(c1ccc(Cl)cc1)O3
InChIInChI=1S/C19H15ClO3/c1-10-9-22-18-11(2)19-15(7-14(10)18)16(21)8-17(23-19)12-3-5-13(20)6-4-12/h3-7,9,17H,8H2,1-2H3
InChIKeyJPDADMBCYPBKJZ-UHFFFAOYSA-N
XLogP5.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.78
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one (CID 25148237) is 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one is Cc1coc2c(C)c3c(cc12)C(=O)CC(c1ccc(Cl)cc1)O3.
What is the InChIKey of 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is JPDADMBCYPBKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-10-9-22-18-11(2)19-15(7-14(10)18)16(21)8-17(23-19)12-3-5-13(20)6-4-12/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one?
7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 326.78 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3,9-dimethyl-6,7-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 25148237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).