4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol

C25H27NO2 — CID 69327181

IUPAC4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol
SMILESCNCCOc1ccc(C=C(CCc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO2/c1-26-17-18-28-25-15-10-21(11-16-25)19-23(22-5-3-2-4-6-22)12-7-20-8-13-24(27)14-9-20/h2-6,8-11,13-16,19,26-27H,7,12,17-18H2,1H3
InChIKeyMGYSYFDOMSJICH-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.16
Rot. Bonds9

About 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol

4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol (PubChem CID 69327181) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol.

Molecular Properties

Compound Name4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol
PubChem CID69327181
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol
SMILESCNCCOc1ccc(C=C(CCc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO2/c1-26-17-18-28-25-15-10-21(11-16-25)19-23(22-5-3-2-4-6-22)12-7-20-8-13-24(27)14-9-20/h2-6,8-11,13-16,19,26-27H,7,12,17-18H2,1H3
InChIKeyMGYSYFDOMSJICH-UHFFFAOYSA-N
XLogP5.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 57100920
1-iodo-4-[4-[4-(5-iodopentoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 67653537
1-(5-chloropentoxy)-4-[4-(4-iodophenyl)-3-phenylbut-3-enyl]benzene
CID 67652269
4-[2-phenyl-4-[4-[5-(pyridin-2-ylmethylsulfonyl)pentoxy]phenyl]but-1-enyl]phenol
CID 69304952
3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
CID 154975242
1-[2-[4-[(Z)-4-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one
CID 69124872
N-methyl-3-phenoxypropan-1-amine
CID 22067856
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
4-[1-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpentyl]phenol
CID 138710634

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol?
The IUPAC name of 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol (CID 69327181) is 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol.
What is the SMILES notation for 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol?
The canonical SMILES for 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol is CNCCOc1ccc(C=C(CCc2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol?
The InChIKey is MGYSYFDOMSJICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-26-17-18-28-25-15-10-21(11-16-25)19-23(22-5-3-2-4-6-22)12-7-20-8-13-24(27)14-9-20/h2-6,8-11,13-16,19,26-27H,7,12,17-18H2,1H3.
What are the key properties of 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol?
4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol has a molecular weight of 373.50 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylbut-3-enyl]phenol is sourced from PubChem (CID 69327181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).