2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol

C16H24O — CID 63460691

IUPAC2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCCCC1CCc2ccccc2C1O
InChIInChI=1S/C16H24O/c1-2-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)17/h6-8,10,14,16-17H,2-5,9,11-12H2,1H3
InChIKeyVMIZSJQLCZHPES-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.25
Rot. Bonds5

About 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol

2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 63460691) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID63460691
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCCCC1CCc2ccccc2C1O
InChIInChI=1S/C16H24O/c1-2-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)17/h6-8,10,14,16-17H,2-5,9,11-12H2,1H3
InChIKeyVMIZSJQLCZHPES-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 63460691) is 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCCCCCC1CCc2ccccc2C1O.
What is the InChIKey of 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is VMIZSJQLCZHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)17/h6-8,10,14,16-17H,2-5,9,11-12H2,1H3.
What are the key properties of 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol?
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 63460691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).