6-phenylhexan-1-ol

C12H18O — CID 520110

IUPAC6-phenylhexan-1-ol
SMILESOCCCCCCc1ccccc1
InChIInChI=1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2
InChIKeyFDXBUMXUJRZANT-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.78
Rot. Bonds6

About 6-phenylhexan-1-ol

6-phenylhexan-1-ol (PubChem CID 520110) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-phenylhexan-1-ol.

Molecular Properties

Compound Name6-phenylhexan-1-ol
PubChem CID520110
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name6-phenylhexan-1-ol
SMILESOCCCCCCc1ccccc1
InChIInChI=1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2
InChIKeyFDXBUMXUJRZANT-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.78
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 6-phenylhexan-1-ol?
The IUPAC name of 6-phenylhexan-1-ol (CID 520110) is 6-phenylhexan-1-ol.
What is the SMILES notation for 6-phenylhexan-1-ol?
The canonical SMILES for 6-phenylhexan-1-ol is OCCCCCCc1ccccc1.
What is the InChIKey of 6-phenylhexan-1-ol?
The InChIKey is FDXBUMXUJRZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2.
What are the key properties of 6-phenylhexan-1-ol?
6-phenylhexan-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexan-1-ol is sourced from PubChem (CID 520110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).