2,2-diphenylpentane-1,4-diol

C17H20O2 — CID 135025733

IUPAC2,2-diphenylpentane-1,4-diol
SMILESCC(O)CC(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-14(19)12-17(13-18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,18-19H,12-13H2,1H3
InChIKeyQXCOYUUCSTZWFE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.74
Rot. Bonds5

About 2,2-diphenylpentane-1,4-diol

2,2-diphenylpentane-1,4-diol (PubChem CID 135025733) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-diphenylpentane-1,4-diol.

Molecular Properties

Compound Name2,2-diphenylpentane-1,4-diol
PubChem CID135025733
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2,2-diphenylpentane-1,4-diol
SMILESCC(O)CC(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-14(19)12-17(13-18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,18-19H,12-13H2,1H3
InChIKeyQXCOYUUCSTZWFE-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4,4-diphenylpentan-2-ol
CID 24973034
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
1-(1,3-dihydroxy-1-phenylbutoxy)-1-phenylbutane-1,3-diol
CID 173407184
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,3-diphenylbutane-1,4-diol
CID 69304223
(E)-2,2-diphenylhept-4-en-1-ol
CID 177416066
2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol
CID 11404914
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
(2S,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465965
(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465966
2-(2-methylpentyl)-2-phenylpropane-1,3-diol
CID 79449866

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylpentane-1,4-diol?
The IUPAC name of 2,2-diphenylpentane-1,4-diol (CID 135025733) is 2,2-diphenylpentane-1,4-diol.
What is the SMILES notation for 2,2-diphenylpentane-1,4-diol?
The canonical SMILES for 2,2-diphenylpentane-1,4-diol is CC(O)CC(CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylpentane-1,4-diol?
The InChIKey is QXCOYUUCSTZWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-14(19)12-17(13-18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,18-19H,12-13H2,1H3.
What are the key properties of 2,2-diphenylpentane-1,4-diol?
2,2-diphenylpentane-1,4-diol has a molecular weight of 256.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylpentane-1,4-diol is sourced from PubChem (CID 135025733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).