9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one

C130H75Br4Cl3FNO23 — CID 161280078

IUPAC9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one
SMILESCOc1ccccc1C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccc(Br)cc1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccc(Br)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Br)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc4ccccc4c3)c(-c3ccc(F)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(Cl)c3)c(-c3ccc(Br)cc3)c12
InChIInChI=1S/C29H17FO4.C26H17BrO5.C25H13BrCl2O4.C25H14BrClO4.C25H14BrNO6/c1-16-14-24(31)34-28-22(16)12-13-23-26(28)25(18-8-10-21(30)11-9-18)29(33-23)27(32)20-7-6-17-4-2-3-5-19(17)15-20;1-14-13-21(28)32-25-17(14)11-12-20-23(25)22(15-7-9-16(27)10-8-15)26(31-20)24(29)18-5-3-4-6-19(18)30-2;1-12-10-20(29)32-24-16(12)7-9-19-22(24)21(13-2-5-15(26)6-3-13)25(31-19)23(30)14-4-8-17(27)18(28)11-14;1-13-11-20(28)31-24-18(13)9-10-19-22(24)21(14-5-7-16(26)8-6-14)25(30-19)23(29)15-3-2-4-17(27)12-15;1-13-12-20(28)33-24-18(13)10-11-19-22(24)21(14-2-6-16(26)7-3-14)25(32-19)23(29)15-4-8-17(9-5-15)27(30)31/h2-15H,1H3;3-13H,1-2H3;2-11H,1H3;2-12H,1H3;2-12H,1H3
InChIKeyVEYSOFWNOBMVPE-UHFFFAOYSA-N
MW2463.99 g/mol
LogP34.95
Rot. Bonds17

About 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one

9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one (PubChem CID 161280078) has the molecular formula C130H75Br4Cl3FNO23 and a molecular weight of 2463.99 g/mol. Its IUPAC name is 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one.

Molecular Properties

Compound Name9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one
PubChem CID161280078
Molecular FormulaC130H75Br4Cl3FNO23
Molecular Weight2463.99 g/mol
Exact Mass2457.05
IUPAC Name9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one
SMILESCOc1ccccc1C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccc(Br)cc1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccc(Br)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Br)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc4ccccc4c3)c(-c3ccc(F)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(Cl)c3)c(-c3ccc(Br)cc3)c12
InChIInChI=1S/C29H17FO4.C26H17BrO5.C25H13BrCl2O4.C25H14BrClO4.C25H14BrNO6/c1-16-14-24(31)34-28-22(16)12-13-23-26(28)25(18-8-10-21(30)11-9-18)29(33-23)27(32)20-7-6-17-4-2-3-5-19(17)15-20;1-14-13-21(28)32-25-17(14)11-12-20-23(25)22(15-7-9-16(27)10-8-15)26(31-20)24(29)18-5-3-4-6-19(18)30-2;1-12-10-20(29)32-24-16(12)7-9-19-22(24)21(13-2-5-15(26)6-3-13)25(31-19)23(30)14-4-8-17(27)18(28)11-14;1-13-11-20(28)31-24-18(13)9-10-19-22(24)21(14-5-7-16(26)8-6-14)25(30-19)23(29)15-3-2-4-17(27)12-15;1-13-12-20(28)33-24-18(13)10-11-19-22(24)21(14-2-6-16(26)7-3-14)25(32-19)23(29)15-4-8-17(9-5-15)27(30)31/h2-15H,1H3;3-13H,1-2H3;2-11H,1H3;2-12H,1H3;2-12H,1H3
InChIKeyVEYSOFWNOBMVPE-UHFFFAOYSA-N
XLogP34.95
TPSA354.47 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.99
LogP ≤ 534.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one with MolForge

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Related Compounds

9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one
CID 58008459
8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
CID 44599243
8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44555055
8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44555207
4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 44554561
8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)benzonitrile
CID 44554728
8-[4-(dimethylamino)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008436
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
3-(8-benzoyl-4-methyl-2-oxofuro[2,3-h]chromen-9-yl)benzonitrile
CID 44599406
8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 158198567
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008457

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one?
The IUPAC name of 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one (CID 161280078) is 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one.
What is the SMILES notation for 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one?
The canonical SMILES for 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one is COc1ccccc1C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccc(Br)cc1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccc(Br)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Br)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc4ccccc4c3)c(-c3ccc(F)cc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(Cl)c3)c(-c3ccc(Br)cc3)c12.
What is the InChIKey of 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one?
The InChIKey is VEYSOFWNOBMVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17FO4.C26H17BrO5.C25H13BrCl2O4.C25H14BrClO4.C25H14BrNO6/c1-16-14-24(31)34-28-22(16)12-13-23-26(28)25(18-8-10-21(30)11-9-18)29(33-23)27(32)20-7-6-17-4-2-3-5-19(17)15-20;1-14-13-21(28)32-25-17(14)11-12-20-23(25)22(15-7-9-16(27)10-8-15)26(31-20)24(29)18-5-3-4-6-19(18)30-2;1-12-10-20(29)32-24-16(12)7-9-19-22(24)21(13-2-5-15(26)6-3-13)25(31-19)23(30)14-4-8-17(27)18(28)11-14;1-13-11-20(28)31-24-18(13)9-10-19-22(24)21(14-5-7-16(26)8-6-14)25(30-19)23(29)15-3-2-4-17(27)12-15;1-13-12-20(28)33-24-18(13)10-11-19-22(24)21(14-2-6-16(26)7-3-14)25(32-19)23(29)15-4-8-17(9-5-15)27(30)31/h2-15H,1H3;3-13H,1-2H3;2-11H,1H3;2-12H,1H3;2-12H,1H3.
What are the key properties of 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one?
9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one has a molecular weight of 2463.99 g/mol, XLogP of 34.95, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-8-(3-chlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(3,4-dichlorobenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-8-(2-methoxybenzoyl)-4-methylfuro[2,3-h]chromen-2-one;9-(4-bromophenyl)-4-methyl-8-(4-nitrobenzoyl)furo[2,3-h]chromen-2-one;9-(4-fluorophenyl)-4-methyl-8-(naphthalene-2-carbonyl)furo[2,3-h]chromen-2-one is sourced from PubChem (CID 161280078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).