6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol

C13H17NO3 — CID 68555017

IUPAC6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol
SMILESCC1c2ccc3c(c2NC(C)(C)C1O)OCO3
InChIInChI=1S/C13H17NO3/c1-7-8-4-5-9-11(17-6-16-9)10(8)14-13(2,3)12(7)15/h4-5,7,12,14-15H,6H2,1-3H3
InChIKeyBNVUUYAUMDKZBP-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.08
Rot. Bonds

About 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol

6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol (PubChem CID 68555017) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol.

Molecular Properties

Compound Name6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol
PubChem CID68555017
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol
SMILESCC1c2ccc3c(c2NC(C)(C)C1O)OCO3
InChIInChI=1S/C13H17NO3/c1-7-8-4-5-9-11(17-6-16-9)10(8)14-13(2,3)12(7)15/h4-5,7,12,14-15H,6H2,1-3H3
InChIKeyBNVUUYAUMDKZBP-UHFFFAOYSA-N
XLogP2.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
CID 24837686
9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-7,8-dihydro-6H-benzo[g][1,3]benzodioxole-6,9-diol
CID 162892739
spiro[6,7-dihydro-[1,3]dioxolo[4,5-h]chromene-8,4'-piperidine]-6-ol
CID 82045766
4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
CID 117351988
methyl 7-amino-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole-6-carboxylate
CID 77419962
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol
CID 161390943
(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 143917287
5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
CID 117286045
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963
N-methyl-1,3-benzodioxol-4-amine
CID 55252977
4,5-dimethyl-1,3-benzodioxole
CID 12958464

Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol?
The IUPAC name of 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol (CID 68555017) is 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol.
What is the SMILES notation for 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol?
The canonical SMILES for 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol is CC1c2ccc3c(c2NC(C)(C)C1O)OCO3.
What is the InChIKey of 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol?
The InChIKey is BNVUUYAUMDKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-7-8-4-5-9-11(17-6-16-9)10(8)14-13(2,3)12(7)15/h4-5,7,12,14-15H,6H2,1-3H3.
What are the key properties of 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol?
6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol has a molecular weight of 235.28 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol is sourced from PubChem (CID 68555017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).