Ethamoxytriphetol

C27H33NO3 — CID 6222

IUPAC1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol
SMILESCCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O
InChIInChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3
InChIKeyKDYQVUUCWUPJGE-UHFFFAOYSA-N
MW419.60 g/mol
LogP5.20
Rot. Bonds11

About Ethamoxytriphetol

Ethamoxytriphetol (PubChem CID 6222) has the molecular formula C27H33NO3 and a molecular weight of 419.60 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound NameEthamoxytriphetol
PubChem CID6222
Molecular FormulaC27H33NO3
Molecular Weight419.60 g/mol
Exact Mass419.25
IUPAC Name1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol
SMILESCCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O
InChIInChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3
InChIKeyKDYQVUUCWUPJGE-UHFFFAOYSA-N
XLogP5.20
TPSA41.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity475

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.60
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze Ethamoxytriphetol 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

Tamoxifen
CID 2733526
Enclomiphene
CID 1548953
4-Hydroxytamoxifen
CID 449459
Clomiphene
CID 2800
Zuclomiphene
CID 1548955
Triparanol
CID 6536
4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-buten-1-yl)phenol
CID 63062
Droloxifene
CID 3033767
Endoxifen
CID 10090750
Nafoxidine
CID 4416
(E)-4-Hydroxytamoxifen
CID 5352135
Tesmilifene
CID 108092

Frequently Asked Questions

What is the IUPAC name of Ethamoxytriphetol?
The IUPAC name of Ethamoxytriphetol (CID 6222) is 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol.
What is the SMILES notation for Ethamoxytriphetol?
The canonical SMILES for Ethamoxytriphetol is CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O.
What is the InChIKey of Ethamoxytriphetol?
The InChIKey is KDYQVUUCWUPJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3.
What are the key properties of Ethamoxytriphetol?
Ethamoxytriphetol has a molecular weight of 419.60 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethamoxytriphetol is sourced from PubChem (CID 6222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).