5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol

C17H26O3 — CID 15207420

IUPAC5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C(C(C)C)OC(C(C)C)O2
InChIInChI=1S/C17H26O3/c1-8(2)15-13-12(7)14(18)10(5)11(6)16(13)20-17(19-15)9(3)4/h8-9,15,17-18H,1-7H3
InChIKeyDAKLXLQABCBQGP-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.41
Rot. Bonds2

About 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol

5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol (PubChem CID 15207420) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol.

Molecular Properties

Compound Name5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol
PubChem CID15207420
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C(C(C)C)OC(C(C)C)O2
InChIInChI=1S/C17H26O3/c1-8(2)15-13-12(7)14(18)10(5)11(6)16(13)20-17(19-15)9(3)4/h8-9,15,17-18H,1-7H3
InChIKeyDAKLXLQABCBQGP-UHFFFAOYSA-N
XLogP4.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol?
The IUPAC name of 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol (CID 15207420) is 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol.
What is the SMILES notation for 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol?
The canonical SMILES for 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol is Cc1c(C)c2c(c(C)c1O)C(C(C)C)OC(C(C)C)O2.
What is the InChIKey of 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol?
The InChIKey is DAKLXLQABCBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-8(2)15-13-12(7)14(18)10(5)11(6)16(13)20-17(19-15)9(3)4/h8-9,15,17-18H,1-7H3.
What are the key properties of 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol?
5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol has a molecular weight of 278.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethyl-2,4-di(propan-2-yl)-4H-1,3-benzodioxin-6-ol is sourced from PubChem (CID 15207420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).