2-phenyl-5-(2-phenylethyl)hexane-1,6-diol

C20H26O2 — CID 70367489

IUPAC2-phenyl-5-(2-phenylethyl)hexane-1,6-diol
SMILESOCC(CCc1ccccc1)CCC(CO)c1ccccc1
InChIInChI=1S/C20H26O2/c21-15-18(12-11-17-7-3-1-4-8-17)13-14-20(16-22)19-9-5-2-6-10-19/h1-10,18,20-22H,11-16H2
InChIKeyUWCLVGGZAKSAPC-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.78
Rot. Bonds9

About 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol

2-phenyl-5-(2-phenylethyl)hexane-1,6-diol (PubChem CID 70367489) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol.

Molecular Properties

Compound Name2-phenyl-5-(2-phenylethyl)hexane-1,6-diol
PubChem CID70367489
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-phenyl-5-(2-phenylethyl)hexane-1,6-diol
SMILESOCC(CCc1ccccc1)CCC(CO)c1ccccc1
InChIInChI=1S/C20H26O2/c21-15-18(12-11-17-7-3-1-4-8-17)13-14-20(16-22)19-9-5-2-6-10-19/h1-10,18,20-22H,11-16H2
InChIKeyUWCLVGGZAKSAPC-UHFFFAOYSA-N
XLogP3.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
(3R)-3,5-diphenylpentanoic acid
CID 821797
3,6-diphenylhexan-1-ol
CID 54360227
2-(ethoxymethyl)-4-phenylbutan-1-ol
CID 174416866
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
2-amino-4-phenylbutan-1-ol
CID 159249603
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol?
The IUPAC name of 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol (CID 70367489) is 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol.
What is the SMILES notation for 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol?
The canonical SMILES for 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol is OCC(CCc1ccccc1)CCC(CO)c1ccccc1.
What is the InChIKey of 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol?
The InChIKey is UWCLVGGZAKSAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c21-15-18(12-11-17-7-3-1-4-8-17)13-14-20(16-22)19-9-5-2-6-10-19/h1-10,18,20-22H,11-16H2.
What are the key properties of 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol?
2-phenyl-5-(2-phenylethyl)hexane-1,6-diol has a molecular weight of 298.43 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-phenylethyl)hexane-1,6-diol is sourced from PubChem (CID 70367489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).