2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol

C15H22O2 — CID 83931756

IUPAC2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
SMILESOCC(CO)CCc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22O2/c16-10-13(11-17)6-5-12-7-8-14-3-1-2-4-15(14)9-12/h7-9,13,16-17H,1-6,10-11H2
InChIKeyBQJGKJYBINOWGV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.10
Rot. Bonds5

About 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol

2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol (PubChem CID 83931756) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
PubChem CID83931756
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
SMILESOCC(CO)CCc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22O2/c16-10-13(11-17)6-5-12-7-8-14-3-1-2-4-15(14)9-12/h7-9,13,16-17H,1-6,10-11H2
InChIKeyBQJGKJYBINOWGV-UHFFFAOYSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186693
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
CID 105493498
6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
CID 64515618
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol (CID 83931756) is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol is OCC(CO)CCc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol?
The InChIKey is BQJGKJYBINOWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-10-13(11-17)6-5-12-7-8-14-3-1-2-4-15(14)9-12/h7-9,13,16-17H,1-6,10-11H2.
What are the key properties of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol?
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol has a molecular weight of 234.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol is sourced from PubChem (CID 83931756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).