1-(3-phenoxyphenyl)hexan-1-ol

C18H22O2 — CID 21288520

IUPAC1-(3-phenoxyphenyl)hexan-1-ol
SMILESCCCCCC(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H22O2/c1-2-3-5-13-18(19)15-9-8-12-17(14-15)20-16-10-6-4-7-11-16/h4,6-12,14,18-19H,2-3,5,13H2,1H3
InChIKeyQJLGISVDRKQXGI-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.09
Rot. Bonds7

About 1-(3-phenoxyphenyl)hexan-1-ol

1-(3-phenoxyphenyl)hexan-1-ol (PubChem CID 21288520) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)hexan-1-ol
PubChem CID21288520
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(3-phenoxyphenyl)hexan-1-ol
SMILESCCCCCC(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H22O2/c1-2-3-5-13-18(19)15-9-8-12-17(14-15)20-16-10-6-4-7-11-16/h4,6-12,14,18-19H,2-3,5,13H2,1H3
InChIKeyQJLGISVDRKQXGI-UHFFFAOYSA-N
XLogP5.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-phenoxyphenyl)hexan-1-ol?
The IUPAC name of 1-(3-phenoxyphenyl)hexan-1-ol (CID 21288520) is 1-(3-phenoxyphenyl)hexan-1-ol.
What is the SMILES notation for 1-(3-phenoxyphenyl)hexan-1-ol?
The canonical SMILES for 1-(3-phenoxyphenyl)hexan-1-ol is CCCCCC(O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-phenoxyphenyl)hexan-1-ol?
The InChIKey is QJLGISVDRKQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-5-13-18(19)15-9-8-12-17(14-15)20-16-10-6-4-7-11-16/h4,6-12,14,18-19H,2-3,5,13H2,1H3.
What are the key properties of 1-(3-phenoxyphenyl)hexan-1-ol?
1-(3-phenoxyphenyl)hexan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)hexan-1-ol is sourced from PubChem (CID 21288520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).