1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol

C18H21FO2 — CID 11415012

IUPAC1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol
SMILESOCCCCCC(O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C18H21FO2/c19-17-7-4-3-6-16(17)14-9-11-15(12-10-14)18(21)8-2-1-5-13-20/h3-4,6-7,9-12,18,20-21H,1-2,5,8,13H2
InChIKeyIEWWBKXMLVLPPZ-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.08
Rot. Bonds7

About 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol

1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol (PubChem CID 11415012) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol
PubChem CID11415012
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol
SMILESOCCCCCC(O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C18H21FO2/c19-17-7-4-3-6-16(17)14-9-11-15(12-10-14)18(21)8-2-1-5-13-20/h3-4,6-7,9-12,18,20-21H,1-2,5,8,13H2
InChIKeyIEWWBKXMLVLPPZ-UHFFFAOYSA-N
XLogP4.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
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-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol (CID 11415012) is 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol is OCCCCCC(O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol?
The InChIKey is IEWWBKXMLVLPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c19-17-7-4-3-6-16(17)14-9-11-15(12-10-14)18(21)8-2-1-5-13-20/h3-4,6-7,9-12,18,20-21H,1-2,5,8,13H2.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol?
1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol has a molecular weight of 288.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol is sourced from PubChem (CID 11415012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).