8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol

C16H22O2 — CID 10848035

IUPAC8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol
SMILESCC(C)(C)c1ccc2c(c1)C1CCCC(O)C1O2
InChIInChI=1S/C16H22O2/c1-16(2,3)10-7-8-14-12(9-10)11-5-4-6-13(17)15(11)18-14/h7-9,11,13,15,17H,4-6H2,1-3H3
InChIKeyQJQYTJRHYZUZGQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.37
Rot. Bonds

About 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol

8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol (PubChem CID 10848035) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol.

Molecular Properties

Compound Name8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol
PubChem CID10848035
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol
SMILESCC(C)(C)c1ccc2c(c1)C1CCCC(O)C1O2
InChIInChI=1S/C16H22O2/c1-16(2,3)10-7-8-14-12(9-10)11-5-4-6-13(17)15(11)18-14/h7-9,11,13,15,17H,4-6H2,1-3H3
InChIKeyQJQYTJRHYZUZGQ-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-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-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol
CID 10125843
4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
CID 142978777
4-iodo-7-(2-methylhexan-2-yl)-1,2,3,4,4a,9b-hexahydrodibenzofuran
CID 141162058
(1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417895
6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol
CID 134479038
5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol
CID 23757260
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
CID 116963215
trans-(1S,2S)-2-(2,4-ditert-butylphenoxy)cyclopentan-1-ol
CID 67808829
(5S)-7-(2-methylbutan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014175
(3aR,4S,9bS)-4-(2,4-dimethylphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 58862267
6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 168743383

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol?
The IUPAC name of 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol (CID 10848035) is 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol.
What is the SMILES notation for 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol?
The canonical SMILES for 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol is CC(C)(C)c1ccc2c(c1)C1CCCC(O)C1O2.
What is the InChIKey of 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol?
The InChIKey is QJQYTJRHYZUZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(2,3)10-7-8-14-12(9-10)11-5-4-6-13(17)15(11)18-14/h7-9,11,13,15,17H,4-6H2,1-3H3.
What are the key properties of 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol?
8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol has a molecular weight of 246.35 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol is sourced from PubChem (CID 10848035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).