1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol

C15H22O — CID 65411363

IUPAC1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
SMILESCCCCCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C15H22O/c1-2-3-4-9-15(16)14-10-12-7-5-6-8-13(12)11-14/h5-8,14-16H,2-4,9-11H2,1H3
InChIKeyZAGAIXAKJDSODI-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.34
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol

1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol (PubChem CID 65411363) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
PubChem CID65411363
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
SMILESCCCCCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C15H22O/c1-2-3-4-9-15(16)14-10-12-7-5-6-8-13(12)11-14/h5-8,14-16H,2-4,9-11H2,1H3
InChIKeyZAGAIXAKJDSODI-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.34
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 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol (CID 65411363) is 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol is CCCCCC(O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol?
The InChIKey is ZAGAIXAKJDSODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-4-9-15(16)14-10-12-7-5-6-8-13(12)11-14/h5-8,14-16H,2-4,9-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol?
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol is sourced from PubChem (CID 65411363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).