8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate

C130H89F2O28P — CID 159094905

IUPAC8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4c(C)cc(=O)oc4c23)cc1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(C)c2)c1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(F)c2)c1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2F)c1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OP(=O)(O)O)c3)c(-c3ccccc3)c12
InChIInChI=1S/C27H20O5.2C26H17FO5.C26H18O5.C25H17O8P/c1-15-6-4-7-17(12-15)23-24-21(11-10-20-16(2)13-22(28)32-26(20)24)31-27(23)25(29)18-8-5-9-19(14-18)30-3;1-14-11-21(28)32-25-19(14)9-10-20-23(25)22(15-5-3-7-17(27)12-15)26(31-20)24(29)16-6-4-8-18(13-16)30-2;1-14-12-21(28)32-25-17(14)10-11-20-23(25)22(18-8-3-4-9-19(18)27)26(31-20)24(29)15-6-5-7-16(13-15)30-2;1-15-14-21(27)31-25-19(15)12-13-20-23(25)22(16-8-10-18(29-2)11-9-16)26(30-20)24(28)17-6-4-3-5-7-17;1-14-12-20(26)32-24-18(14)10-11-19-22(24)21(15-6-3-2-4-7-15)25(31-19)23(27)16-8-5-9-17(13-16)33-34(28,29)30/h4-14H,1-3H3;2*3-13H,1-2H3;3-14H,1-2H3;2-13H,1H3,(H2,28,29,30)
InChIKeyKCNUAXMXHVOFHQ-UHFFFAOYSA-N
MW2168.08 g/mol
LogP28.82
Rot. Bonds21

About 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate

8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate (PubChem CID 159094905) has the molecular formula C130H89F2O28P and a molecular weight of 2168.08 g/mol. Its IUPAC name is 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate
PubChem CID159094905
Molecular FormulaC130H89F2O28P
Molecular Weight2168.08 g/mol
Exact Mass2166.52
IUPAC Name8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4c(C)cc(=O)oc4c23)cc1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(C)c2)c1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(F)c2)c1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2F)c1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OP(=O)(O)O)c3)c(-c3ccccc3)c12
InChIInChI=1S/C27H20O5.2C26H17FO5.C26H18O5.C25H17O8P/c1-15-6-4-7-17(12-15)23-24-21(11-10-20-16(2)13-22(28)32-26(20)24)31-27(23)25(29)18-8-5-9-19(14-18)30-3;1-14-11-21(28)32-25-19(14)9-10-20-23(25)22(15-5-3-7-17(27)12-15)26(31-20)24(29)16-6-4-8-18(13-16)30-2;1-14-12-21(28)32-25-17(14)10-11-20-23(25)22(18-8-3-4-9-19(18)27)26(31-20)24(29)15-6-5-7-16(13-15)30-2;1-15-14-21(27)31-25-19(15)12-13-20-23(25)22(16-8-10-18(29-2)11-9-16)26(30-20)24(28)17-6-4-3-5-7-17;1-14-12-20(26)32-24-18(14)10-11-19-22(24)21(15-6-3-2-4-7-15)25(31-19)23(27)16-8-5-9-17(13-16)33-34(28,29)30/h4-14H,1-3H3;2*3-13H,1-2H3;3-14H,1-2H3;2-13H,1H3,(H2,28,29,30)
InChIKeyKCNUAXMXHVOFHQ-UHFFFAOYSA-N
XLogP28.82
TPSA405.78 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002168.08
LogP ≤ 528.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate with MolForge

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Related Compounds

4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 44554561
8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
CID 44599243
8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008457
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)benzonitrile
CID 44554728
3-(8-benzoyl-4-methyl-2-oxofuro[2,3-h]chromen-9-yl)benzonitrile
CID 44599406
8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600205
8-[3-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599241
4-methyl-8-[3-[3-(4-methylpiperazin-1-yl)propoxy]benzoyl]-9-phenylfuro[2,3-h]chromen-2-one
CID 44600371
4-methyl-9-phenyl-8-[3-(3-piperidin-1-ylpropoxy)benzoyl]furo[2,3-h]chromen-2-one
CID 44600368
8-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599086

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate?
The IUPAC name of 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate (CID 159094905) is 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate?
The canonical SMILES for 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate is COc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4c(C)cc(=O)oc4c23)cc1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(C)c2)c1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(F)c2)c1.COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2F)c1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OP(=O)(O)O)c3)c(-c3ccccc3)c12.
What is the InChIKey of 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate?
The InChIKey is KCNUAXMXHVOFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O5.2C26H17FO5.C26H18O5.C25H17O8P/c1-15-6-4-7-17(12-15)23-24-21(11-10-20-16(2)13-22(28)32-26(20)24)31-27(23)25(29)18-8-5-9-19(14-18)30-3;1-14-11-21(28)32-25-19(14)9-10-20-23(25)22(15-5-3-7-17(27)12-15)26(31-20)24(29)16-6-4-8-18(13-16)30-2;1-14-12-21(28)32-25-17(14)10-11-20-23(25)22(18-8-3-4-9-19(18)27)26(31-20)24(29)15-6-5-7-16(13-15)30-2;1-15-14-21(27)31-25-19(15)12-13-20-23(25)22(16-8-10-18(29-2)11-9-16)26(30-20)24(28)17-6-4-3-5-7-17;1-14-12-20(26)32-24-18(14)10-11-19-22(24)21(15-6-3-2-4-7-15)25(31-19)23(27)16-8-5-9-17(13-16)33-34(28,29)30/h4-14H,1-3H3;2*3-13H,1-2H3;3-14H,1-2H3;2-13H,1H3,(H2,28,29,30).
What are the key properties of 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate?
8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate has a molecular weight of 2168.08 g/mol, XLogP of 28.82, 21 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-9-(4-methoxyphenyl)-4-methylfuro[2,3-h]chromen-2-one;9-(2-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(3-fluorophenyl)-8-(3-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;8-(3-methoxybenzoyl)-4-methyl-9-(3-methylphenyl)furo[2,3-h]chromen-2-one;[3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 159094905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).