2-(2,2-diphenylpropoxy)ethane-1,1-diol

C17H20O3 — CID 140983903

IUPAC2-(2,2-diphenylpropoxy)ethane-1,1-diol
SMILESCC(COCC(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O3/c1-17(13-20-12-16(18)19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-19H,12-13H2,1H3
InChIKeyLKLKGPCAYVOWNK-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.32
Rot. Bonds6

About 2-(2,2-diphenylpropoxy)ethane-1,1-diol

2-(2,2-diphenylpropoxy)ethane-1,1-diol (PubChem CID 140983903) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(2,2-diphenylpropoxy)ethane-1,1-diol.

Molecular Properties

Compound Name2-(2,2-diphenylpropoxy)ethane-1,1-diol
PubChem CID140983903
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(2,2-diphenylpropoxy)ethane-1,1-diol
SMILESCC(COCC(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O3/c1-17(13-20-12-16(18)19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-19H,12-13H2,1H3
InChIKeyLKLKGPCAYVOWNK-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-diphenylpropoxy)ethane-1,1-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
2-phenylmethoxyethane-1,1-diol
CID 59866645
2-(2,2-dihydroxyethoxy)ethane-1,1-diol;phenol
CID 70186106
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate
CID 141468307
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylpropoxy)ethane-1,1-diol?
The IUPAC name of 2-(2,2-diphenylpropoxy)ethane-1,1-diol (CID 140983903) is 2-(2,2-diphenylpropoxy)ethane-1,1-diol.
What is the SMILES notation for 2-(2,2-diphenylpropoxy)ethane-1,1-diol?
The canonical SMILES for 2-(2,2-diphenylpropoxy)ethane-1,1-diol is CC(COCC(O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylpropoxy)ethane-1,1-diol?
The InChIKey is LKLKGPCAYVOWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-17(13-20-12-16(18)19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-19H,12-13H2,1H3.
What are the key properties of 2-(2,2-diphenylpropoxy)ethane-1,1-diol?
2-(2,2-diphenylpropoxy)ethane-1,1-diol has a molecular weight of 272.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylpropoxy)ethane-1,1-diol is sourced from PubChem (CID 140983903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).