3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol

C145H130Cl2FNO24 — CID 167555676

IUPAC3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol
SMILESCC1(C)Oc2cc(O)ccc2-c2ccc(OC3CCOCC3)cc21.COc1ccc2c(c1)C1(COC1)Oc1cc(Cl)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1cc(O)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1ccccc1-2.Cc1ccc2c(c1)C(C)(C)Oc1cc(O)c(F)cc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(Cl)ccc1-2.Cc1ccc2c(c1)C1(COC1)Oc1cc(OCc3ccccc3)ccc1-2.Oc1ccc2c(c1)OC1(COC1)c1cc(OCc3ccccc3)ccc1-2
InChIInChI=1S/C23H20O3.C22H18O4.C20H22O4.C16H14ClNO.C16H13ClO3.C16H15FO2.C16H14O4.C16H14O3/c1-16-7-9-19-20-10-8-18(25-13-17-5-3-2-4-6-17)12-22(20)26-23(14-24-15-23)21(19)11-16;23-16-6-8-19-18-9-7-17(25-12-15-4-2-1-3-5-15)11-20(18)22(13-24-14-22)26-21(19)10-16;1-20(2)18-12-15(23-14-7-9-22-10-8-14)4-6-16(18)17-5-3-13(21)11-19(17)24-20;1-10-2-4-12-13-5-3-11(17)7-15(13)19-16(8-18-9-16)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;1-9-4-5-10-11-7-13(17)14(18)8-15(11)19-16(2,3)12(10)6-9;1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11;1-17-11-6-7-12-13-4-2-3-5-15(13)19-16(9-18-10-16)14(12)8-11/h2-12H,13-15H2,1H3;1-11,23H,12-14H2;3-6,11-12,14,21H,7-10H2,1-2H3;2-7,18H,8-9H2,1H3;2-7H,8-9H2,1H3;4-8,18H,1-3H3;2-7,17H,8-9H2,1H3;2-8H,9-10H2,1H3
InChIKeyCZCSPOHSQPFLID-UHFFFAOYSA-N
MW2360.52 g/mol
LogP30.30
Rot. Bonds11

About 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol

3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol (PubChem CID 167555676) has the molecular formula C145H130Cl2FNO24 and a molecular weight of 2360.52 g/mol. Its IUPAC name is 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol.

Molecular Properties

Compound Name3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol
PubChem CID167555676
Molecular FormulaC145H130Cl2FNO24
Molecular Weight2360.52 g/mol
Exact Mass2357.83
IUPAC Name3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol
SMILESCC1(C)Oc2cc(O)ccc2-c2ccc(OC3CCOCC3)cc21.COc1ccc2c(c1)C1(COC1)Oc1cc(Cl)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1cc(O)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1ccccc1-2.Cc1ccc2c(c1)C(C)(C)Oc1cc(O)c(F)cc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(Cl)ccc1-2.Cc1ccc2c(c1)C1(COC1)Oc1cc(OCc3ccccc3)ccc1-2.Oc1ccc2c(c1)OC1(COC1)c1cc(OCc3ccccc3)ccc1-2
InChIInChI=1S/C23H20O3.C22H18O4.C20H22O4.C16H14ClNO.C16H13ClO3.C16H15FO2.C16H14O4.C16H14O3/c1-16-7-9-19-20-10-8-18(25-13-17-5-3-2-4-6-17)12-22(20)26-23(14-24-15-23)21(19)11-16;23-16-6-8-19-18-9-7-17(25-12-15-4-2-1-3-5-15)11-20(18)22(13-24-14-22)26-21(19)10-16;1-20(2)18-12-15(23-14-7-9-22-10-8-14)4-6-16(18)17-5-3-13(21)11-19(17)24-20;1-10-2-4-12-13-5-3-11(17)7-15(13)19-16(8-18-9-16)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;1-9-4-5-10-11-7-13(17)14(18)8-15(11)19-16(2,3)12(10)6-9;1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11;1-17-11-6-7-12-13-4-2-3-5-15(13)19-16(9-18-10-16)14(12)8-11/h2-12H,13-15H2,1H3;1-11,23H,12-14H2;3-6,11-12,14,21H,7-10H2,1-2H3;2-7,18H,8-9H2,1H3;2-7H,8-9H2,1H3;4-8,18H,1-3H3;2-7,17H,8-9H2,1H3;2-8H,9-10H2,1H3
InChIKeyCZCSPOHSQPFLID-UHFFFAOYSA-N
XLogP30.30
TPSA277.55 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002360.52
LogP ≤ 530.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
The IUPAC name of 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol (CID 167555676) is 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol.
What is the SMILES notation for 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
The canonical SMILES for 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol is CC1(C)Oc2cc(O)ccc2-c2ccc(OC3CCOCC3)cc21.COc1ccc2c(c1)C1(COC1)Oc1cc(Cl)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1cc(O)ccc1-2.COc1ccc2c(c1)C1(COC1)Oc1ccccc1-2.Cc1ccc2c(c1)C(C)(C)Oc1cc(O)c(F)cc1-2.Cc1ccc2c(c1)C1(CNC1)Oc1cc(Cl)ccc1-2.Cc1ccc2c(c1)C1(COC1)Oc1cc(OCc3ccccc3)ccc1-2.Oc1ccc2c(c1)OC1(COC1)c1cc(OCc3ccccc3)ccc1-2.
What is the InChIKey of 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
The InChIKey is CZCSPOHSQPFLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3.C22H18O4.C20H22O4.C16H14ClNO.C16H13ClO3.C16H15FO2.C16H14O4.C16H14O3/c1-16-7-9-19-20-10-8-18(25-13-17-5-3-2-4-6-17)12-22(20)26-23(14-24-15-23)21(19)11-16;23-16-6-8-19-18-9-7-17(25-12-15-4-2-1-3-5-15)11-20(18)22(13-24-14-22)26-21(19)10-16;1-20(2)18-12-15(23-14-7-9-22-10-8-14)4-6-16(18)17-5-3-13(21)11-19(17)24-20;1-10-2-4-12-13-5-3-11(17)7-15(13)19-16(8-18-9-16)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;1-9-4-5-10-11-7-13(17)14(18)8-15(11)19-16(2,3)12(10)6-9;1-18-11-3-5-12-13-4-2-10(17)6-15(13)20-16(8-19-9-16)14(12)7-11;1-17-11-6-7-12-13-4-2-3-5-15(13)19-16(9-18-10-16)14(12)8-11/h2-12H,13-15H2,1H3;1-11,23H,12-14H2;3-6,11-12,14,21H,7-10H2,1-2H3;2-7,18H,8-9H2,1H3;2-7H,8-9H2,1H3;4-8,18H,1-3H3;2-7,17H,8-9H2,1H3;2-8H,9-10H2,1H3.
What are the key properties of 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol?
3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol has a molecular weight of 2360.52 g/mol, XLogP of 30.30, 11 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];3'-chloro-8'-methylspiro[azetidine-3,6'-benzo[c]chromene];6,6-dimethyl-8-(oxan-4-yloxy)benzo[c]chromen-3-ol;2-fluoro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane];8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;8-methyl-3-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane];8-phenylmethoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol is sourced from PubChem (CID 167555676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).