4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol

C52H74N2O4 — CID 52946636

IUPAC4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol
SMILESCCCC/C(CC)=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.CCCC/C(CC)=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/2C26H37NO2/c2*1-5-9-10-21(6-2)26(22-11-15-24(28)16-12-22)23-13-17-25(18-14-23)29-20-19-27(7-3)8-4/h2*11-18,28H,5-10,19-20H2,1-4H3/b26-21+;26-21-
InChIKeyLOHSLJSEJWGNEP-CKKBJEQOSA-N
MW791.17 g/mol
LogP13.03
Rot. Bonds24

About 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol

4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol (PubChem CID 52946636) has the molecular formula C52H74N2O4 and a molecular weight of 791.17 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol
PubChem CID52946636
Molecular FormulaC52H74N2O4
Molecular Weight791.17 g/mol
Exact Mass790.56
IUPAC Name4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol
SMILESCCCC/C(CC)=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.CCCC/C(CC)=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/2C26H37NO2/c2*1-5-9-10-21(6-2)26(22-11-15-24(28)16-12-22)23-13-17-25(18-14-23)29-20-19-27(7-3)8-4/h2*11-18,28H,5-10,19-20H2,1-4H3/b26-21+;26-21-
InChIKeyLOHSLJSEJWGNEP-CKKBJEQOSA-N
XLogP13.03
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.17
LogP ≤ 513.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol 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
4-Hydroxytamoxifen
CID 449459
Clomiphene
CID 2800
4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-buten-1-yl)phenol
CID 63062
Enclomiphene
CID 1548953
Zuclomiphene
CID 1548955
Droloxifene
CID 3033767
Endoxifen
CID 10090750
(E)-4-Hydroxytamoxifen
CID 5352135
Tesmilifene
CID 108092
4'-Hydroxytamoxifen
CID 5284643
(E)-Tamoxifen
CID 3032583

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol (CID 52946636) is 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol is CCCC/C(CC)=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.CCCC/C(CC)=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol?
The InChIKey is LOHSLJSEJWGNEP-CKKBJEQOSA-N. The full InChI is InChI=1S/2C26H37NO2/c2*1-5-9-10-21(6-2)26(22-11-15-24(28)16-12-22)23-13-17-25(18-14-23)29-20-19-27(7-3)8-4/h2*11-18,28H,5-10,19-20H2,1-4H3/b26-21+;26-21-.
What are the key properties of 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol?
4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol has a molecular weight of 791.17 g/mol, XLogP of 13.03, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol;4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-ethylhex-1-enyl]phenol is sourced from PubChem (CID 52946636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).