5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol

C13H18O2 — CID 156687185

IUPAC5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCC(C)c1cccc2c1CC(O)C(O)C2
InChIInChI=1S/C13H18O2/c1-8(2)10-5-3-4-9-6-12(14)13(15)7-11(9)10/h3-5,8,12-15H,6-7H2,1-2H3
InChIKeyJSYQIPKAIODCSS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.63
Rot. Bonds1

About 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol

5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol (PubChem CID 156687185) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol.

Molecular Properties

Compound Name5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol
PubChem CID156687185
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCC(C)c1cccc2c1CC(O)C(O)C2
InChIInChI=1S/C13H18O2/c1-8(2)10-5-3-4-9-6-12(14)13(15)7-11(9)10/h3-5,8,12-15H,6-7H2,1-2H3
InChIKeyJSYQIPKAIODCSS-UHFFFAOYSA-N
XLogP1.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 130041054
8-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130000646
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol
CID 175179853
(2R,3S)-5-ethynyl-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 101345428
[(6S,7S)-6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
CID 95480102
5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 123689027
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
CID 130731304
6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 12878351
2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
CID 82276811
1-propan-2-yl-9H-thioxanthene
CID 23368911

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol (CID 156687185) is 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol.
What is the SMILES notation for 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The canonical SMILES for 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol is CC(C)c1cccc2c1CC(O)C(O)C2.
What is the InChIKey of 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The InChIKey is JSYQIPKAIODCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8(2)10-5-3-4-9-6-12(14)13(15)7-11(9)10/h3-5,8,12-15H,6-7H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol?
5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol has a molecular weight of 206.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol is sourced from PubChem (CID 156687185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).