1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol

C26H31NO2 — CID 3018431

IUPAC1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol
SMILESCCN(CC)CCOc1ccc(C(O)(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H31NO2/c1-3-27(4-2)19-20-29-25-17-15-24(16-18-25)26(28,23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,28H,3-4,19-21H2,1-2H3
InChIKeyZHLXWJSSVXYFJC-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.89
Rot. Bonds10

About 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol

1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol (PubChem CID 3018431) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol
PubChem CID3018431
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol
SMILESCCN(CC)CCOc1ccc(C(O)(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H31NO2/c1-3-27(4-2)19-20-29-25-17-15-24(16-18-25)26(28,23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,28H,3-4,19-21H2,1-2H3
InChIKeyZHLXWJSSVXYFJC-UHFFFAOYSA-N
XLogP4.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol (CID 3018431) is 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol is CCN(CC)CCOc1ccc(C(O)(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol?
The InChIKey is ZHLXWJSSVXYFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-3-27(4-2)19-20-29-25-17-15-24(16-18-25)26(28,23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,28H,3-4,19-21H2,1-2H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol?
1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol has a molecular weight of 389.54 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol is sourced from PubChem (CID 3018431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).