5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C14H20O2 — CID 105476149

IUPAC5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(C)(CO)C1CCCc2c(O)cccc21
InChIInChI=1S/C14H20O2/c1-14(2,9-15)12-7-3-6-11-10(12)5-4-8-13(11)16/h4-5,8,12,15-16H,3,6-7,9H2,1-2H3
InChIKeyXDFYGOIJUWMAPW-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.83
Rot. Bonds2

About 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 105476149) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID105476149
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(C)(CO)C1CCCc2c(O)cccc21
InChIInChI=1S/C14H20O2/c1-14(2,9-15)12-7-3-6-11-10(12)5-4-8-13(11)16/h4-5,8,12,15-16H,3,6-7,9H2,1-2H3
InChIKeyXDFYGOIJUWMAPW-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982360
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969
carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 162294570
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 92978915
2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 105481647
5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982641
5-(isocyanatomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 112709876
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315
5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105490085

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 105476149) is 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is CC(C)(CO)C1CCCc2c(O)cccc21.
What is the InChIKey of 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XDFYGOIJUWMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,9-15)12-7-3-6-11-10(12)5-4-8-13(11)16/h4-5,8,12,15-16H,3,6-7,9H2,1-2H3.
What are the key properties of 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 105476149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).