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

C15H22O3 — CID 114494445

IUPAC6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC(C)(O)COc1ccc2c(c1)CCCC2O
InChIInChI=1S/C15H22O3/c1-3-15(2,17)10-18-12-7-8-13-11(9-12)5-4-6-14(13)16/h7-9,14,16-17H,3-6,10H2,1-2H3
InChIKeyQOFPZHPUWRQTSZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.60
Rot. Bonds4

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

6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 114494445) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID114494445
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC(C)(O)COc1ccc2c(c1)CCCC2O
InChIInChI=1S/C15H22O3/c1-3-15(2,17)10-18-12-7-8-13-11(9-12)5-4-6-14(13)16/h7-9,14,16-17H,3-6,10H2,1-2H3
InChIKeyQOFPZHPUWRQTSZ-UHFFFAOYSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-hydroxy-2,3-dimethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114494443
6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114280270
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
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
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
6-(diethylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83822185
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684669
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 114494445) is 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is CCC(C)(O)COc1ccc2c(c1)CCCC2O.
What is the InChIKey of 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is QOFPZHPUWRQTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-15(2,17)10-18-12-7-8-13-11(9-12)5-4-6-14(13)16/h7-9,14,16-17H,3-6,10H2,1-2H3.
What are the key properties of 6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
6-(2-hydroxy-2-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.60, 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-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 114494445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).