5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol

C18H20O3 — CID 11076958

IUPAC5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol
SMILESCC(C)(C)C1(O)c2ccccc2OCOc2ccccc21
InChIInChI=1S/C18H20O3/c1-17(2,3)18(19)13-8-4-6-10-15(13)20-12-21-16-11-7-5-9-14(16)18/h4-11,19H,12H2,1-3H3
InChIKeyHNDNWNMYRNKSAE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.70
Rot. Bonds

About 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol

5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol (PubChem CID 11076958) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol.

Molecular Properties

Compound Name5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol
PubChem CID11076958
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol
SMILESCC(C)(C)C1(O)c2ccccc2OCOc2ccccc21
InChIInChI=1S/C18H20O3/c1-17(2,3)18(19)13-8-4-6-10-15(13)20-12-21-16-11-7-5-9-14(16)18/h4-11,19H,12H2,1-3H3
InChIKeyHNDNWNMYRNKSAE-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyl-1,3-benzodioxine
CID 45117132
(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol
CID 164684749
4-phenyl-1,3-benzodioxin-4-ol
CID 45117143
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;hydrobromide
CID 172797493
1,3-benzodioxole;ethane;ethene
CID 143197375
1,3-benzodioxole;ethene
CID 142820644
2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
CID 20801257
3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561835
1,3-benzodioxole;2,2-dimethyl-1,3-benzodioxole
CID 21273269
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol?
The IUPAC name of 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol (CID 11076958) is 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol.
What is the SMILES notation for 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol?
The canonical SMILES for 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol is CC(C)(C)C1(O)c2ccccc2OCOc2ccccc21.
What is the InChIKey of 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol?
The InChIKey is HNDNWNMYRNKSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-17(2,3)18(19)13-8-4-6-10-15(13)20-12-21-16-11-7-5-9-14(16)18/h4-11,19H,12H2,1-3H3.
What are the key properties of 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol?
5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol has a molecular weight of 284.36 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylbenzo[d][1,3]benzodioxocin-5-ol is sourced from PubChem (CID 11076958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).