2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one

C19H14O3 — CID 142746632

IUPAC2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one
SMILESCc1oc2c(c1-c1ccccc1)c(=O)oc1c(C)cccc12
InChIInChI=1S/C19H14O3/c1-11-7-6-10-14-17(11)22-19(20)16-15(12(2)21-18(14)16)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyJJDZBMWMAWNJDR-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.82
Rot. Bonds1

About 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one

2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one (PubChem CID 142746632) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one
PubChem CID142746632
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one
SMILESCc1oc2c(c1-c1ccccc1)c(=O)oc1c(C)cccc12
InChIInChI=1S/C19H14O3/c1-11-7-6-10-14-17(11)22-19(20)16-15(12(2)21-18(14)16)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyJJDZBMWMAWNJDR-UHFFFAOYSA-N
XLogP4.82
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-7,18-dimethyl-12,20-dioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4(9),5,7,14,16,18-octaene-3,10,21-trione
CID 53381853
3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one
CID 135031779
4,7-dimethyl-5-phenyl-3,10-dioxatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),4,7,12(16)-pentaen-11-one
CID 707832
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
CID 170419866
6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one
CID 10264769
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9-methyl-10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707799
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
3-(3-chlorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
CID 18887595
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
7,17-diphenyl-4,14-dioxahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),7,9,11(22),12(16),17,19-octaene-3,5,13,15-tetrone
CID 56632747

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one (CID 142746632) is 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one is Cc1oc2c(c1-c1ccccc1)c(=O)oc1c(C)cccc12.
What is the InChIKey of 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is JJDZBMWMAWNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-11-7-6-10-14-17(11)22-19(20)16-15(12(2)21-18(14)16)13-8-4-3-5-9-13/h3-10H,1-2H3.
What are the key properties of 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one?
2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 290.32 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 142746632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).