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

C13H18O4 — CID 114091354

IUPAC3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
SMILESOCC(O)COc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C13H18O4/c14-7-10(15)8-17-11-5-4-9-2-1-3-13(16)12(9)6-11/h4-6,10,13-16H,1-3,7-8H2
InChIKeyPUKYFNCGHNSKRO-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.79
Rot. Bonds4

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

3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol (PubChem CID 114091354) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
PubChem CID114091354
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
SMILESOCC(O)COc1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C13H18O4/c14-7-10(15)8-17-11-5-4-9-2-1-3-13(16)12(9)6-11/h4-6,10,13-16H,1-3,7-8H2
InChIKeyPUKYFNCGHNSKRO-UHFFFAOYSA-N
XLogP0.79
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 82850996
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091344
(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091372
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
CID 82849320
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
3-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)oxy]propane-1,2-diol
CID 82849942

Frequently Asked Questions

What is the IUPAC name of 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
The IUPAC name of 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol (CID 114091354) is 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol.
What is the SMILES notation for 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
The canonical SMILES for 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol is OCC(O)COc1ccc2c(c1)C(O)CCC2.
What is the InChIKey of 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
The InChIKey is PUKYFNCGHNSKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-7-10(15)8-17-11-5-4-9-2-1-3-13(16)12(9)6-11/h4-6,10,13-16H,1-3,7-8H2.
What are the key properties of 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol has a molecular weight of 238.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol is sourced from PubChem (CID 114091354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).