[(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

C16H16Cl3NO4 — CID 67990859

IUPAC[(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCC1(C)OC2C(O1)[C@@H](CO)O[C@H]2n1c(Cl)cc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C16H16Cl3NO4/c1-16(2)23-13-11(6-21)22-15(14(13)24-16)20-10-5-9(18)8(17)3-7(10)4-12(20)19/h3-5,11,13-15,21H,6H2,1-2H3/t11-,13?,14?,15-/m1/s1
InChIKeyIINZOESFEJDPEY-GALLPEHLSA-N
MW392.67 g/mol
LogP4.01
Rot. Bonds2

About [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

[(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol (PubChem CID 67990859) has the molecular formula C16H16Cl3NO4 and a molecular weight of 392.67 g/mol. Its IUPAC name is [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol.

Molecular Properties

Compound Name[(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
PubChem CID67990859
Molecular FormulaC16H16Cl3NO4
Molecular Weight392.67 g/mol
Exact Mass391.01
IUPAC Name[(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCC1(C)OC2C(O1)[C@@H](CO)O[C@H]2n1c(Cl)cc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C16H16Cl3NO4/c1-16(2)23-13-11(6-21)22-15(14(13)24-16)20-10-5-9(18)8(17)3-7(10)4-12(20)19/h3-5,11,13-15,21H,6H2,1-2H3/t11-,13?,14?,15-/m1/s1
InChIKeyIINZOESFEJDPEY-GALLPEHLSA-N
XLogP4.01
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
The IUPAC name of [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol (CID 67990859) is [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol.
What is the SMILES notation for [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
The canonical SMILES for [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol is CC1(C)OC2C(O1)[C@@H](CO)O[C@H]2n1c(Cl)cc2cc(Cl)c(Cl)cc21.
What is the InChIKey of [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
The InChIKey is IINZOESFEJDPEY-GALLPEHLSA-N. The full InChI is InChI=1S/C16H16Cl3NO4/c1-16(2)23-13-11(6-21)22-15(14(13)24-16)20-10-5-9(18)8(17)3-7(10)4-12(20)19/h3-5,11,13-15,21H,6H2,1-2H3/t11-,13?,14?,15-/m1/s1.
What are the key properties of [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol?
[(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol has a molecular weight of 392.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-2,2-dimethyl-4-(2,5,6-trichloroindol-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol is sourced from PubChem (CID 67990859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).