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

C22H22O3 — CID 54503444

IUPAC1-(2,2,2-triphenylethoxy)ethane-1,1-diol
SMILESCC(O)(O)OCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c1-21(23,24)25-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23-24H,17H2,1H3
InChIKeyYEAYLSLSGLUNIY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.70
Rot. Bonds6

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

1-(2,2,2-triphenylethoxy)ethane-1,1-diol (PubChem CID 54503444) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2,2,2-triphenylethoxy)ethane-1,1-diol.

Molecular Properties

Compound Name1-(2,2,2-triphenylethoxy)ethane-1,1-diol
PubChem CID54503444
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name1-(2,2,2-triphenylethoxy)ethane-1,1-diol
SMILESCC(O)(O)OCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3/c1-21(23,24)25-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23-24H,17H2,1H3
InChIKeyYEAYLSLSGLUNIY-UHFFFAOYSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 67365449
CID 67365449
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
methyl(2,2,2-triphenylethoxy)silane
CID 148920069
1-[ethoxy(methyl)amino]-1-phenylethanol
CID 88599607
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
3-methyl-2-phenylpentan-2-ol
CID 13024634
ethoxyethane;triphenylmethanol
CID 70428584
1-octadecoxy-1-phenylethanol
CID 175437177
1-(2-hydroxypropoxy)-1-phenylpropan-1-ol
CID 174629308

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-triphenylethoxy)ethane-1,1-diol?
The IUPAC name of 1-(2,2,2-triphenylethoxy)ethane-1,1-diol (CID 54503444) is 1-(2,2,2-triphenylethoxy)ethane-1,1-diol.
What is the SMILES notation for 1-(2,2,2-triphenylethoxy)ethane-1,1-diol?
The canonical SMILES for 1-(2,2,2-triphenylethoxy)ethane-1,1-diol is CC(O)(O)OCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2,2-triphenylethoxy)ethane-1,1-diol?
The InChIKey is YEAYLSLSGLUNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-21(23,24)25-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23-24H,17H2,1H3.
What are the key properties of 1-(2,2,2-triphenylethoxy)ethane-1,1-diol?
1-(2,2,2-triphenylethoxy)ethane-1,1-diol has a molecular weight of 334.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-triphenylethoxy)ethane-1,1-diol is sourced from PubChem (CID 54503444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).