3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

C13H18O2 — CID 84674417

IUPAC3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C13H18O2/c1-13(2,15)11-7-9-5-3-4-6-10(9)8-12(11)14/h7-8,14-15H,3-6H2,1-2H3
InChIKeyRGSURDZWMMDBOY-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.50
Rot. Bonds1

About 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 84674417) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID84674417
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C13H18O2/c1-13(2,15)11-7-9-5-3-4-6-10(9)8-12(11)14/h7-8,14-15H,3-6H2,1-2H3
InChIKeyRGSURDZWMMDBOY-UHFFFAOYSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-3-methylbutanoic acid
CID 117410680
2,3-dihydro-1H-indene-5,6-diol
CID 13058959
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313360
2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol
CID 162410657
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
CID 123134100
CID 123134100
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296662
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
CID 140602507
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 84674417) is 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(O)c1cc2c(cc1O)CCCC2.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RGSURDZWMMDBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,15)11-7-9-5-3-4-6-10(9)8-12(11)14/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 84674417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).