3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one

C157H146O24 — CID 158694296

IUPAC3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one
SMILESCC(C)(C)Cc1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CC(C)C(C)c1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CC(C)Cc1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CCC(CC)c1ccccc1-c1cc2ccc(O)cc2c(=O)o1.O=c1oc(-c2ccccc2C2CC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCCC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCCCC2)cc2ccc(O)cc12
InChIInChI=1S/C21H20O3.C20H18O3.3C20H20O3.C19H16O3.C19H18O3.C18H14O3/c22-16-11-10-15-12-20(24-21(23)19(15)13-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14;21-15-10-9-14-11-19(23-20(22)18(14)12-15)17-8-4-3-7-16(17)13-5-1-2-6-13;1-20(2,3)12-14-6-4-5-7-16(14)18-10-13-8-9-15(21)11-17(13)19(22)23-18;1-12(2)13(3)16-6-4-5-7-17(16)19-10-14-8-9-15(21)11-18(14)20(22)23-19;1-3-13(4-2)16-7-5-6-8-17(16)19-11-14-9-10-15(21)12-18(14)20(22)23-19;20-14-9-8-13-10-18(22-19(21)17(13)11-14)16-7-2-1-6-15(16)12-4-3-5-12;1-12(2)9-13-5-3-4-6-16(13)18-10-14-7-8-15(20)11-17(14)19(21)22-18;19-13-8-7-12-9-17(21-18(20)16(12)10-13)15-4-2-1-3-14(15)11-5-6-11/h4-5,8-14,22H,1-3,6-7H2;3-4,7-13,21H,1-2,5-6H2;4-11,21H,12H2,1-3H3;4-13,21H,1-3H3;5-13,21H,3-4H2,1-2H3;1-2,6-12,20H,3-5H2;3-8,10-12,20H,9H2,1-2H3;1-4,7-11,19H,5-6H2
InChIKeyIGSXFLBFDBRPRP-UHFFFAOYSA-N
MW2416.87 g/mol
LogP37.63
Rot. Bonds20

About 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one

3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one (PubChem CID 158694296) has the molecular formula C157H146O24 and a molecular weight of 2416.87 g/mol. Its IUPAC name is 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one.

Molecular Properties

Compound Name3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one
PubChem CID158694296
Molecular FormulaC157H146O24
Molecular Weight2416.87 g/mol
Exact Mass2415.02
IUPAC Name3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one
SMILESCC(C)(C)Cc1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CC(C)C(C)c1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CC(C)Cc1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CCC(CC)c1ccccc1-c1cc2ccc(O)cc2c(=O)o1.O=c1oc(-c2ccccc2C2CC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCCC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCCCC2)cc2ccc(O)cc12
InChIInChI=1S/C21H20O3.C20H18O3.3C20H20O3.C19H16O3.C19H18O3.C18H14O3/c22-16-11-10-15-12-20(24-21(23)19(15)13-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14;21-15-10-9-14-11-19(23-20(22)18(14)12-15)17-8-4-3-7-16(17)13-5-1-2-6-13;1-20(2,3)12-14-6-4-5-7-16(14)18-10-13-8-9-15(21)11-17(13)19(22)23-18;1-12(2)13(3)16-6-4-5-7-17(16)19-10-14-8-9-15(21)11-18(14)20(22)23-19;1-3-13(4-2)16-7-5-6-8-17(16)19-11-14-9-10-15(21)12-18(14)20(22)23-19;20-14-9-8-13-10-18(22-19(21)17(13)11-14)16-7-2-1-6-15(16)12-4-3-5-12;1-12(2)9-13-5-3-4-6-16(13)18-10-14-7-8-15(20)11-17(14)19(21)22-18;19-13-8-7-12-9-17(21-18(20)16(12)10-13)15-4-2-1-3-14(15)11-5-6-11/h4-5,8-14,22H,1-3,6-7H2;3-4,7-13,21H,1-2,5-6H2;4-11,21H,12H2,1-3H3;4-13,21H,1-3H3;5-13,21H,3-4H2,1-2H3;1-2,6-12,20H,3-5H2;3-8,10-12,20H,9H2,1-2H3;1-4,7-11,19H,5-6H2
InChIKeyIGSXFLBFDBRPRP-UHFFFAOYSA-N
XLogP37.63
TPSA403.52 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002416.87
LogP ≤ 537.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one?
The IUPAC name of 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one (CID 158694296) is 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one.
What is the SMILES notation for 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one?
The canonical SMILES for 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one is CC(C)(C)Cc1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CC(C)C(C)c1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CC(C)Cc1ccccc1-c1cc2ccc(O)cc2c(=O)o1.CCC(CC)c1ccccc1-c1cc2ccc(O)cc2c(=O)o1.O=c1oc(-c2ccccc2C2CC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCCC2)cc2ccc(O)cc12.O=c1oc(-c2ccccc2C2CCCCC2)cc2ccc(O)cc12.
What is the InChIKey of 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one?
The InChIKey is IGSXFLBFDBRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3.C20H18O3.3C20H20O3.C19H16O3.C19H18O3.C18H14O3/c22-16-11-10-15-12-20(24-21(23)19(15)13-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14;21-15-10-9-14-11-19(23-20(22)18(14)12-15)17-8-4-3-7-16(17)13-5-1-2-6-13;1-20(2,3)12-14-6-4-5-7-16(14)18-10-13-8-9-15(21)11-17(13)19(22)23-18;1-12(2)13(3)16-6-4-5-7-17(16)19-10-14-8-9-15(21)11-18(14)20(22)23-19;1-3-13(4-2)16-7-5-6-8-17(16)19-11-14-9-10-15(21)12-18(14)20(22)23-19;20-14-9-8-13-10-18(22-19(21)17(13)11-14)16-7-2-1-6-15(16)12-4-3-5-12;1-12(2)9-13-5-3-4-6-16(13)18-10-14-7-8-15(20)11-17(14)19(21)22-18;19-13-8-7-12-9-17(21-18(20)16(12)10-13)15-4-2-1-3-14(15)11-5-6-11/h4-5,8-14,22H,1-3,6-7H2;3-4,7-13,21H,1-2,5-6H2;4-11,21H,12H2,1-3H3;4-13,21H,1-3H3;5-13,21H,3-4H2,1-2H3;1-2,6-12,20H,3-5H2;3-8,10-12,20H,9H2,1-2H3;1-4,7-11,19H,5-6H2.
What are the key properties of 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one?
3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one has a molecular weight of 2416.87 g/mol, XLogP of 37.63, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclohexylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopentylphenyl)-7-hydroxyisochromen-1-one;3-(2-cyclopropylphenyl)-7-hydroxyisochromen-1-one;3-[2-(2,2-dimethylpropyl)phenyl]-7-hydroxyisochromen-1-one;7-hydroxy-3-[2-(3-methylbutan-2-yl)phenyl]isochromen-1-one;7-hydroxy-3-[2-(2-methylpropyl)phenyl]isochromen-1-one;7-hydroxy-3-(2-pentan-3-ylphenyl)isochromen-1-one is sourced from PubChem (CID 158694296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).