4,6-diphenylnonane-1,1-diol

C21H28O2 — CID 162161241

IUPAC4,6-diphenylnonane-1,1-diol
SMILESCCCC(CC(CCC(O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2/c1-2-9-19(17-10-5-3-6-11-17)16-20(14-15-21(22)23)18-12-7-4-8-13-18/h3-8,10-13,19-23H,2,9,14-16H2,1H3
InChIKeyZMMYBFINQAFIPB-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.84
Rot. Bonds9

About 4,6-diphenylnonane-1,1-diol

4,6-diphenylnonane-1,1-diol (PubChem CID 162161241) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4,6-diphenylnonane-1,1-diol.

Molecular Properties

Compound Name4,6-diphenylnonane-1,1-diol
PubChem CID162161241
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name4,6-diphenylnonane-1,1-diol
SMILESCCCC(CC(CCC(O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2/c1-2-9-19(17-10-5-3-6-11-17)16-20(14-15-21(22)23)18-12-7-4-8-13-18/h3-8,10-13,19-23H,2,9,14-16H2,1H3
InChIKeyZMMYBFINQAFIPB-UHFFFAOYSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 57087261
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
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(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
[4-(6-phenyloctan-4-yl)phenyl]methanesulfonic acid
CID 58085482
1-phenyl-2-propylpentan-1-ol
CID 82987900
6,8-dimethoxyoctan-4-ylbenzene
CID 175195889

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylnonane-1,1-diol?
The IUPAC name of 4,6-diphenylnonane-1,1-diol (CID 162161241) is 4,6-diphenylnonane-1,1-diol.
What is the SMILES notation for 4,6-diphenylnonane-1,1-diol?
The canonical SMILES for 4,6-diphenylnonane-1,1-diol is CCCC(CC(CCC(O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4,6-diphenylnonane-1,1-diol?
The InChIKey is ZMMYBFINQAFIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-2-9-19(17-10-5-3-6-11-17)16-20(14-15-21(22)23)18-12-7-4-8-13-18/h3-8,10-13,19-23H,2,9,14-16H2,1H3.
What are the key properties of 4,6-diphenylnonane-1,1-diol?
4,6-diphenylnonane-1,1-diol has a molecular weight of 312.45 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylnonane-1,1-diol is sourced from PubChem (CID 162161241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).