(2-ethoxy-1,1-diphenylethyl)benzene

C22H22O — CID 58693364

IUPAC(2-ethoxy-1,1-diphenylethyl)benzene
SMILESCCOCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O/c1-2-23-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3
InChIKeyRQPMODQYMYXDOJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.06
Rot. Bonds6

About (2-ethoxy-1,1-diphenylethyl)benzene

(2-ethoxy-1,1-diphenylethyl)benzene (PubChem CID 58693364) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is (2-ethoxy-1,1-diphenylethyl)benzene.

Molecular Properties

Compound Name(2-ethoxy-1,1-diphenylethyl)benzene
PubChem CID58693364
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name(2-ethoxy-1,1-diphenylethyl)benzene
SMILESCCOCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O/c1-2-23-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3
InChIKeyRQPMODQYMYXDOJ-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;triphenylmethanol
CID 70428584
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CID 64813783
CID 67365449
CID 67365449
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
methyl(2,2,2-triphenylethoxy)silane
CID 148920069
2-(ethoxymethyl)-N-methyl-2-phenylbutan-1-amine
CID 103984577
N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine
CID 103984585
(2R)-3-ethoxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 125466185
methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
CID 106489257
ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
CID 142276862
[1,1,1-triethoxy-2-(ethoxymethyl)decan-2-yl]benzene
CID 150875588

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1,1-diphenylethyl)benzene?
The IUPAC name of (2-ethoxy-1,1-diphenylethyl)benzene (CID 58693364) is (2-ethoxy-1,1-diphenylethyl)benzene.
What is the SMILES notation for (2-ethoxy-1,1-diphenylethyl)benzene?
The canonical SMILES for (2-ethoxy-1,1-diphenylethyl)benzene is CCOCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-ethoxy-1,1-diphenylethyl)benzene?
The InChIKey is RQPMODQYMYXDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-2-23-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3.
What are the key properties of (2-ethoxy-1,1-diphenylethyl)benzene?
(2-ethoxy-1,1-diphenylethyl)benzene has a molecular weight of 302.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1,1-diphenylethyl)benzene is sourced from PubChem (CID 58693364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).