4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol

C50H49F9O10 — CID 158704088

IUPAC4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol
SMILESCC1(C(F)(F)F)OCc2ccc(O)cc21.CC1(C)COCc2ccc(O)cc21.Oc1ccc2c(c1)C(C(F)(F)F)OC2.Oc1ccc2c(c1)C(CC(F)(F)F)OC2.Oc1ccc2c(c1)C1(CC1)OC2
InChIInChI=1S/C11H14O2.2C10H9F3O2.C10H10O2.C9H7F3O2/c1-11(2)7-13-6-8-3-4-9(12)5-10(8)11;1-9(10(11,12)13)8-4-7(14)3-2-6(8)5-15-9;11-10(12,13)4-9-8-3-7(14)2-1-6(8)5-15-9;11-8-2-1-7-6-12-10(3-4-10)9(7)5-8;10-9(11,12)8-7-3-6(13)2-1-5(7)4-14-8/h3-5,12H,6-7H2,1-2H3;2-4,14H,5H2,1H3;1-3,9,14H,4-5H2;1-2,5,11H,3-4,6H2;1-3,8,13H,4H2
InChIKeyIHXAHBDRPLVMPS-UHFFFAOYSA-N
MW980.91 g/mol
LogP12.25
Rot. Bonds1

About 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol

4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol (PubChem CID 158704088) has the molecular formula C50H49F9O10 and a molecular weight of 980.91 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol.

Molecular Properties

Compound Name4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol
PubChem CID158704088
Molecular FormulaC50H49F9O10
Molecular Weight980.91 g/mol
Exact Mass980.32
IUPAC Name4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol
SMILESCC1(C(F)(F)F)OCc2ccc(O)cc21.CC1(C)COCc2ccc(O)cc21.Oc1ccc2c(c1)C(C(F)(F)F)OC2.Oc1ccc2c(c1)C(CC(F)(F)F)OC2.Oc1ccc2c(c1)C1(CC1)OC2
InChIInChI=1S/C11H14O2.2C10H9F3O2.C10H10O2.C9H7F3O2/c1-11(2)7-13-6-8-3-4-9(12)5-10(8)11;1-9(10(11,12)13)8-4-7(14)3-2-6(8)5-15-9;11-10(12,13)4-9-8-3-7(14)2-1-6(8)5-15-9;11-8-2-1-7-6-12-10(3-4-10)9(7)5-8;10-9(11,12)8-7-3-6(13)2-1-5(7)4-14-8/h3-5,12H,6-7H2,1-2H3;2-4,14H,5H2,1H3;1-3,9,14H,4-5H2;1-2,5,11H,3-4,6H2;1-3,8,13H,4H2
InChIKeyIHXAHBDRPLVMPS-UHFFFAOYSA-N
XLogP12.25
TPSA147.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.91
LogP ≤ 512.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol with MolForge

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Related Compounds

4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol
CID 160956988
(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol
CID 141458229
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol
CID 118030767
[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylidene-N'-(2-methylprop-1-enyl)carbamimidate
CID 123188568
CID 175938314
CID 175938314
2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-amine
CID 71112994
1-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106779751
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol
CID 90300107
1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol
CID 129180560
spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 21240933

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol?
The IUPAC name of 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol (CID 158704088) is 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol.
What is the SMILES notation for 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol?
The canonical SMILES for 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol is CC1(C(F)(F)F)OCc2ccc(O)cc21.CC1(C)COCc2ccc(O)cc21.Oc1ccc2c(c1)C(C(F)(F)F)OC2.Oc1ccc2c(c1)C(CC(F)(F)F)OC2.Oc1ccc2c(c1)C1(CC1)OC2.
What is the InChIKey of 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol?
The InChIKey is IHXAHBDRPLVMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.2C10H9F3O2.C10H10O2.C9H7F3O2/c1-11(2)7-13-6-8-3-4-9(12)5-10(8)11;1-9(10(11,12)13)8-4-7(14)3-2-6(8)5-15-9;11-10(12,13)4-9-8-3-7(14)2-1-6(8)5-15-9;11-8-2-1-7-6-12-10(3-4-10)9(7)5-8;10-9(11,12)8-7-3-6(13)2-1-5(7)4-14-8/h3-5,12H,6-7H2,1-2H3;2-4,14H,5H2,1H3;1-3,9,14H,4-5H2;1-2,5,11H,3-4,6H2;1-3,8,13H,4H2.
What are the key properties of 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol?
4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol has a molecular weight of 980.91 g/mol, XLogP of 12.25, 1 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol is sourced from PubChem (CID 158704088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).