benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one

C173H103F5N2O27S — CID 159111183

IUPACbenzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one
SMILESCOc1cc(=O)oc2c1ccc1ccccc12.Cc1cc(=O)oc2c1ccc1ccccc12.O=C(Oc1ccccc1)c1ccc(C(=O)Oc2cc3c(ccc4ccccc43)oc2=O)cc1.O=c1cc(F)c2ccc3ccccc3c2o1.O=c1cc(OC(F)(F)F)c2ccc3ccccc3c2o1.O=c1ccc2ccc3ccccc3c2o1.O=c1oc2c(ccc3ccccc32)cc1-c1ccccc1.O=c1oc2c(ccc3ccccc32)cc1-c1nc2ccccc2o1.O=c1oc2c(ccc3ccccc32)cc1-c1nc2ccccc2s1.O=c1oc2ccc3ccccc3c2cc1-c1ccc(F)cc1
InChIInChI=1S/C27H16O6.C20H11NO3.C20H11NO2S.C19H11FO2.C19H12O2.C14H7F3O3.C14H10O3.C14H10O2.C13H7FO2.C13H8O2/c28-25(31-20-7-2-1-3-8-20)18-10-12-19(13-11-18)26(29)33-24-16-22-21-9-5-4-6-17(21)14-15-23(22)32-27(24)30;22-20-15(19-21-16-7-3-4-8-17(16)23-19)11-13-10-9-12-5-1-2-6-14(12)18(13)24-20;22-20-15(19-21-16-7-3-4-8-17(16)24-19)11-13-10-9-12-5-1-2-6-14(12)18(13)23-20;20-14-8-5-13(6-9-14)16-11-17-15-4-2-1-3-12(15)7-10-18(17)22-19(16)21;20-19-17(13-6-2-1-3-7-13)12-15-11-10-14-8-4-5-9-16(14)18(15)21-19;15-14(16,17)20-11-7-12(18)19-13-9-4-2-1-3-8(9)5-6-10(11)13;1-16-12-8-13(15)17-14-10-5-3-2-4-9(10)6-7-11(12)14;1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14;14-11-7-12(15)16-13-9-4-2-1-3-8(9)5-6-10(11)13;14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-16H;2*1-11H;1-11H;1-12H;1-7H;2-8H,1H3;2-8H,1H3;1-7H;1-8H
InChIKeyKEMYSVGXCWSNPG-UHFFFAOYSA-N
MW2768.77 g/mol
LogP40.81
Rot. Bonds10

About benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one

benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one (PubChem CID 159111183) has the molecular formula C173H103F5N2O27S and a molecular weight of 2768.77 g/mol. Its IUPAC name is benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one.

Molecular Properties

Compound Namebenzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one
PubChem CID159111183
Molecular FormulaC173H103F5N2O27S
Molecular Weight2768.77 g/mol
Exact Mass2766.64
IUPAC Namebenzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one
SMILESCOc1cc(=O)oc2c1ccc1ccccc12.Cc1cc(=O)oc2c1ccc1ccccc12.O=C(Oc1ccccc1)c1ccc(C(=O)Oc2cc3c(ccc4ccccc43)oc2=O)cc1.O=c1cc(F)c2ccc3ccccc3c2o1.O=c1cc(OC(F)(F)F)c2ccc3ccccc3c2o1.O=c1ccc2ccc3ccccc3c2o1.O=c1oc2c(ccc3ccccc32)cc1-c1ccccc1.O=c1oc2c(ccc3ccccc32)cc1-c1nc2ccccc2o1.O=c1oc2c(ccc3ccccc32)cc1-c1nc2ccccc2s1.O=c1oc2ccc3ccccc3c2cc1-c1ccc(F)cc1
InChIInChI=1S/C27H16O6.C20H11NO3.C20H11NO2S.C19H11FO2.C19H12O2.C14H7F3O3.C14H10O3.C14H10O2.C13H7FO2.C13H8O2/c28-25(31-20-7-2-1-3-8-20)18-10-12-19(13-11-18)26(29)33-24-16-22-21-9-5-4-6-17(21)14-15-23(22)32-27(24)30;22-20-15(19-21-16-7-3-4-8-17(16)23-19)11-13-10-9-12-5-1-2-6-14(12)18(13)24-20;22-20-15(19-21-16-7-3-4-8-17(16)24-19)11-13-10-9-12-5-1-2-6-14(12)18(13)23-20;20-14-8-5-13(6-9-14)16-11-17-15-4-2-1-3-12(15)7-10-18(17)22-19(16)21;20-19-17(13-6-2-1-3-7-13)12-15-11-10-14-8-4-5-9-16(14)18(15)21-19;15-14(16,17)20-11-7-12(18)19-13-9-4-2-1-3-8(9)5-6-10(11)13;1-16-12-8-13(15)17-14-10-5-3-2-4-9(10)6-7-11(12)14;1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14;14-11-7-12(15)16-13-9-4-2-1-3-8(9)5-6-10(11)13;14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-16H;2*1-11H;1-11H;1-12H;1-7H;2-8H,1H3;2-8H,1H3;1-7H;1-8H
InChIKeyKEMYSVGXCWSNPG-UHFFFAOYSA-N
XLogP40.81
TPSA412.08 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002768.77
LogP ≤ 540.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one with MolForge

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Related Compounds

2-[1,5-Dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028267
2-[6-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 162096067
5-Acetyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;benzo[h][1,4]benzoxazin-2-one;5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(1,3-benzoxazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-methoxy-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one;6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one;6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-[4-(4-phenylphenyl)phenyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;6-(trifluoromethoxy)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
CID 162235817
7-(Dimethylamino)-3-[4-[4-[2-[5-[5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-6-phenyl-1,3-benzoxazol-2-yl]thiophen-2-yl]-5-phenyl-1,3-benzoxazol-6-yl]phenyl]phenyl]-6,8-difluoro-4-phenylchromen-2-one
CID 163601228
2-[4-(1,3-Benzothiazol-2-yl)naphtho[1,2-d][1,3]oxazol-2-yl]phenol
CID 137084455
(5-Fluoro-1,3-benzothiazol-2-yl)methyl 4-[2-[[7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-yl]methoxy]ethyl]benzoate
CID 10651874
2-[6-(1,3-Benzothiazol-2-yl)pyren-1-yl]-1,3-benzoxazole
CID 57610601
2-[9,10-Ditert-butyl-6-(5,6-dimethyl-1,3-benzothiazol-2-yl)anthracen-2-yl]-5,6-dimethyl-1,3-benzoxazole
CID 58028223
2-[6-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzoxazole
CID 58028232
2-[4,8-Dimethyl-6-(6-methyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-6-methyl-1,3-benzoxazole
CID 58028244
2-[2,5-Dimethyl-4-(6-phenyl-1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3-benzoxazole
CID 58028251
6-Phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 58028252

Frequently Asked Questions

What is the IUPAC name of benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one?
The IUPAC name of benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one (CID 159111183) is benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one.
What is the SMILES notation for benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one?
The canonical SMILES for benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one is COc1cc(=O)oc2c1ccc1ccccc12.Cc1cc(=O)oc2c1ccc1ccccc12.O=C(Oc1ccccc1)c1ccc(C(=O)Oc2cc3c(ccc4ccccc43)oc2=O)cc1.O=c1cc(F)c2ccc3ccccc3c2o1.O=c1cc(OC(F)(F)F)c2ccc3ccccc3c2o1.O=c1ccc2ccc3ccccc3c2o1.O=c1oc2c(ccc3ccccc32)cc1-c1ccccc1.O=c1oc2c(ccc3ccccc32)cc1-c1nc2ccccc2o1.O=c1oc2c(ccc3ccccc32)cc1-c1nc2ccccc2s1.O=c1oc2ccc3ccccc3c2cc1-c1ccc(F)cc1.
What is the InChIKey of benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one?
The InChIKey is KEMYSVGXCWSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O6.C20H11NO3.C20H11NO2S.C19H11FO2.C19H12O2.C14H7F3O3.C14H10O3.C14H10O2.C13H7FO2.C13H8O2/c28-25(31-20-7-2-1-3-8-20)18-10-12-19(13-11-18)26(29)33-24-16-22-21-9-5-4-6-17(21)14-15-23(22)32-27(24)30;22-20-15(19-21-16-7-3-4-8-17(16)23-19)11-13-10-9-12-5-1-2-6-14(12)18(13)24-20;22-20-15(19-21-16-7-3-4-8-17(16)24-19)11-13-10-9-12-5-1-2-6-14(12)18(13)23-20;20-14-8-5-13(6-9-14)16-11-17-15-4-2-1-3-12(15)7-10-18(17)22-19(16)21;20-19-17(13-6-2-1-3-7-13)12-15-11-10-14-8-4-5-9-16(14)18(15)21-19;15-14(16,17)20-11-7-12(18)19-13-9-4-2-1-3-8(9)5-6-10(11)13;1-16-12-8-13(15)17-14-10-5-3-2-4-9(10)6-7-11(12)14;1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14;14-11-7-12(15)16-13-9-4-2-1-3-8(9)5-6-10(11)13;14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-16H;2*1-11H;1-11H;1-12H;1-7H;2-8H,1H3;2-8H,1H3;1-7H;1-8H.
What are the key properties of benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one?
benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one has a molecular weight of 2768.77 g/mol, XLogP of 40.81, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]chromen-2-one;3-(1,3-benzothiazol-2-yl)benzo[h]chromen-2-one;3-(1,3-benzoxazol-2-yl)benzo[h]chromen-2-one;4-fluorobenzo[h]chromen-2-one;2-(4-fluorophenyl)benzo[f]chromen-3-one;4-methoxybenzo[h]chromen-2-one;4-methylbenzo[h]chromen-2-one;4-O-(3-oxobenzo[f]chromen-2-yl) 1-O-phenyl benzene-1,4-dicarboxylate;3-phenylbenzo[h]chromen-2-one;4-(trifluoromethoxy)benzo[h]chromen-2-one is sourced from PubChem (CID 159111183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).