6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H24O3 — CID 114494443

IUPAC6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)C(C)(O)COc1ccc2c(c1)CCCC2O
InChIInChI=1S/C16H24O3/c1-11(2)16(3,18)10-19-13-7-8-14-12(9-13)5-4-6-15(14)17/h7-9,11,15,17-18H,4-6,10H2,1-3H3
InChIKeyXEWFGNBLSLEEHH-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.84
Rot. Bonds4

About 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 114494443) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID114494443
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)C(C)(O)COc1ccc2c(c1)CCCC2O
InChIInChI=1S/C16H24O3/c1-11(2)16(3,18)10-19-13-7-8-14-12(9-13)5-4-6-15(14)17/h7-9,11,15,17-18H,4-6,10H2,1-3H3
InChIKeyXEWFGNBLSLEEHH-UHFFFAOYSA-N
XLogP2.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494445
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114280270
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79698408
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091344
(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 114494443) is 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)C(C)(O)COc1ccc2c(c1)CCCC2O.
What is the InChIKey of 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is XEWFGNBLSLEEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)16(3,18)10-19-13-7-8-14-12(9-13)5-4-6-15(14)17/h7-9,11,15,17-18H,4-6,10H2,1-3H3.
What are the key properties of 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 264.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 114494443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).