6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide

C136H126BrCl2N3O23 — CID 167666260

IUPAC6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide
SMILESBr.COc1ccc2c(c1)C1(CN(C(=O)OC(C)(C)C)C1)Oc1cc(O)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1cc(O)ccc1-2.Cc1ccc2c(c1)C(C)(C)Oc1cc(O)c(Cl)cc1-2.Cc1ccc2c(c1)C(C)Oc1cc(O)c(Cl)cc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(O)ccc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(O)ccc1-2.Oc1ccc2c(c1)OC1(COC1)c1cc(OCCc3ccccc3)ccc1-2.Oc1ccc2c(c1)OCc1ccccc1-2
InChIInChI=1S/C23H20O4.C21H23NO5.C16H15ClO2.2C16H15NO2.C16H14O4.C15H13ClO2.C13H10O2.BrH/c24-17-6-8-20-19-9-7-18(26-11-10-16-4-2-1-3-5-16)13-21(19)23(14-25-15-23)27-22(20)12-17;1-20(2,3)27-19(24)22-11-21(12-22)17-10-14(25-4)6-8-15(17)16-7-5-13(23)9-18(16)26-21;1-9-4-5-10-11-7-13(17)14(18)8-15(11)19-16(2,3)12(10)6-9;2*1-10-2-4-12-13-5-3-11(18)7-15(13)19-16(8-17-9-16)14(12)6-10;1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11;1-8-3-4-10-11(5-8)9(2)18-15-7-14(17)13(16)6-12(10)15;14-10-5-6-12-11-4-2-1-3-9(11)8-15-13(12)7-10;/h1-9,12-13,24H,10-11,14-15H2;5-10,23H,11-12H2,1-4H3;4-8,18H,1-3H3;2*2-7,17-18H,8-9H2,1H3;2-7,17H,8-9H2,1H3;3-7,9,17H,1-2H3;1-7,14H,8H2;1H
InChIKeyXBXKLIHZMXMDAD-UHFFFAOYSA-N
MW2321.31 g/mol
LogP28.66
Rot. Bonds6

About 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide

6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide (PubChem CID 167666260) has the molecular formula C136H126BrCl2N3O23 and a molecular weight of 2321.31 g/mol. Its IUPAC name is 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide.

Molecular Properties

Compound Name6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide
PubChem CID167666260
Molecular FormulaC136H126BrCl2N3O23
Molecular Weight2321.31 g/mol
Exact Mass2317.73
IUPAC Name6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide
SMILESBr.COc1ccc2c(c1)C1(CN(C(=O)OC(C)(C)C)C1)Oc1cc(O)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1cc(O)ccc1-2.Cc1ccc2c(c1)C(C)(C)Oc1cc(O)c(Cl)cc1-2.Cc1ccc2c(c1)C(C)Oc1cc(O)c(Cl)cc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(O)ccc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(O)ccc1-2.Oc1ccc2c(c1)OC1(COC1)c1cc(OCCc3ccccc3)ccc1-2.Oc1ccc2c(c1)OCc1ccccc1-2
InChIInChI=1S/C23H20O4.C21H23NO5.C16H15ClO2.2C16H15NO2.C16H14O4.C15H13ClO2.C13H10O2.BrH/c24-17-6-8-20-19-9-7-18(26-11-10-16-4-2-1-3-5-16)13-21(19)23(14-25-15-23)27-22(20)12-17;1-20(2,3)27-19(24)22-11-21(12-22)17-10-14(25-4)6-8-15(17)16-7-5-13(23)9-18(16)26-21;1-9-4-5-10-11-7-13(17)14(18)8-15(11)19-16(2,3)12(10)6-9;2*1-10-2-4-12-13-5-3-11(18)7-15(13)19-16(8-17-9-16)14(12)6-10;1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11;1-8-3-4-10-11(5-8)9(2)18-15-7-14(17)13(16)6-12(10)15;14-10-5-6-12-11-4-2-1-3-9(11)8-15-13(12)7-10;/h1-9,12-13,24H,10-11,14-15H2;5-10,23H,11-12H2,1-4H3;4-8,18H,1-3H3;2*2-7,17-18H,8-9H2,1H3;2-7,17H,8-9H2,1H3;3-7,9,17H,1-2H3;1-7,14H,8H2;1H
InChIKeyXBXKLIHZMXMDAD-UHFFFAOYSA-N
XLogP28.66
TPSA335.43 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds6
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002321.31
LogP ≤ 528.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide?
The IUPAC name of 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide (CID 167666260) is 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide.
What is the SMILES notation for 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide?
The canonical SMILES for 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide is Br.COc1ccc2c(c1)C1(CN(C(=O)OC(C)(C)C)C1)Oc1cc(O)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1cc(O)ccc1-2.Cc1ccc2c(c1)C(C)(C)Oc1cc(O)c(Cl)cc1-2.Cc1ccc2c(c1)C(C)Oc1cc(O)c(Cl)cc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(O)ccc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(O)ccc1-2.Oc1ccc2c(c1)OC1(COC1)c1cc(OCCc3ccccc3)ccc1-2.Oc1ccc2c(c1)OCc1ccccc1-2.
What is the InChIKey of 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide?
The InChIKey is XBXKLIHZMXMDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4.C21H23NO5.C16H15ClO2.2C16H15NO2.C16H14O4.C15H13ClO2.C13H10O2.BrH/c24-17-6-8-20-19-9-7-18(26-11-10-16-4-2-1-3-5-16)13-21(19)23(14-25-15-23)27-22(20)12-17;1-20(2,3)27-19(24)22-11-21(12-22)17-10-14(25-4)6-8-15(17)16-7-5-13(23)9-18(16)26-21;1-9-4-5-10-11-7-13(17)14(18)8-15(11)19-16(2,3)12(10)6-9;2*1-10-2-4-12-13-5-3-11(18)7-15(13)19-16(8-17-9-16)14(12)6-10;1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11;1-8-3-4-10-11(5-8)9(2)18-15-7-14(17)13(16)6-12(10)15;14-10-5-6-12-11-4-2-1-3-9(11)8-15-13(12)7-10;/h1-9,12-13,24H,10-11,14-15H2;5-10,23H,11-12H2,1-4H3;4-8,18H,1-3H3;2*2-7,17-18H,8-9H2,1H3;2-7,17H,8-9H2,1H3;3-7,9,17H,1-2H3;1-7,14H,8H2;1H.
What are the key properties of 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide?
6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide has a molecular weight of 2321.31 g/mol, XLogP of 28.66, 6 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide is sourced from PubChem (CID 167666260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).