1-(4-phenylphenyl)hexane-1,6-diol

C18H22O2 — CID 11357716

IUPAC1-(4-phenylphenyl)hexane-1,6-diol
SMILESOCCCCCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O2/c19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,18-20H,2,5-6,9,14H2
InChIKeyGDAADMSMITZOCO-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.94
Rot. Bonds7

About 1-(4-phenylphenyl)hexane-1,6-diol

1-(4-phenylphenyl)hexane-1,6-diol (PubChem CID 11357716) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(4-phenylphenyl)hexane-1,6-diol.

Molecular Properties

Compound Name1-(4-phenylphenyl)hexane-1,6-diol
PubChem CID11357716
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(4-phenylphenyl)hexane-1,6-diol
SMILESOCCCCCC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O2/c19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,18-20H,2,5-6,9,14H2
InChIKeyGDAADMSMITZOCO-UHFFFAOYSA-N
XLogP3.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.94
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-phenylphenyl)hexane-1,6-diol?
The IUPAC name of 1-(4-phenylphenyl)hexane-1,6-diol (CID 11357716) is 1-(4-phenylphenyl)hexane-1,6-diol.
What is the SMILES notation for 1-(4-phenylphenyl)hexane-1,6-diol?
The canonical SMILES for 1-(4-phenylphenyl)hexane-1,6-diol is OCCCCCC(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)hexane-1,6-diol?
The InChIKey is GDAADMSMITZOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,18-20H,2,5-6,9,14H2.
What are the key properties of 1-(4-phenylphenyl)hexane-1,6-diol?
1-(4-phenylphenyl)hexane-1,6-diol has a molecular weight of 270.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)hexane-1,6-diol is sourced from PubChem (CID 11357716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).