1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol

C26H31NO2 — CID 175517595

IUPAC1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
SMILESCCN(CC)CCOc1ccc(C(O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H31NO2/c1-3-27(4-2)18-19-29-25-16-14-24(15-17-25)26(28)20-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-17,26,28H,3-4,18-20H2,1-2H3
InChIKeyOLCQWGOJUDPLDE-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.35
Rot. Bonds10

About 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol

1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol (PubChem CID 175517595) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
PubChem CID175517595
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
SMILESCCN(CC)CCOc1ccc(C(O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H31NO2/c1-3-27(4-2)18-19-29-25-16-14-24(15-17-25)26(28)20-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-17,26,28H,3-4,18-20H2,1-2H3
InChIKeyOLCQWGOJUDPLDE-UHFFFAOYSA-N
XLogP5.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333
1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 3079535
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 63017882
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073822
2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine
CID 24967269
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol
CID 21128725
[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol
CID 150907151

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol (CID 175517595) is 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol is CCN(CC)CCOc1ccc(C(O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol?
The InChIKey is OLCQWGOJUDPLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-3-27(4-2)18-19-29-25-16-14-24(15-17-25)26(28)20-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-17,26,28H,3-4,18-20H2,1-2H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol?
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol has a molecular weight of 389.54 g/mol, XLogP of 5.35, 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]-2-(4-phenylphenyl)ethanol is sourced from PubChem (CID 175517595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).