4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol

C23H25NO2 — CID 121373935

IUPAC4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-18(16-17-24)4-3-5-20(21-10-14-23(26-2)15-11-21)9-6-19-7-12-22(25)13-8-19/h3-16,25H,17,24H2,1-2H3/b4-3+,9-6+,18-16+,20-5-
InChIKeyIWQUPGAHIQDIFH-XDBUWWOUSA-N
MW347.46 g/mol
LogP4.96
Rot. Bonds7

About 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol

4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol (PubChem CID 121373935) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol.

Molecular Properties

Compound Name4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol
PubChem CID121373935
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-18(16-17-24)4-3-5-20(21-10-14-23(26-2)15-11-21)9-6-19-7-12-22(25)13-8-19/h3-16,25H,17,24H2,1-2H3/b4-3+,9-6+,18-16+,20-5-
InChIKeyIWQUPGAHIQDIFH-XDBUWWOUSA-N
XLogP4.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]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

Endoxifen
CID 10090750
3-Iodothyronamine
CID 9950514
O-Methyltyramine
CID 4657
N,N-Didesmethylvenlafaxine
CID 9795857
N-Desmethylvenlafaxine
CID 3501942
4-[2-(3-Methoxyphenyl)ethenyl]phenol
CID 5930975
4-hydroxy-N-desmethyltamoxifen
CID 3035980
2-(4-Benzyloxy-phenyl)-ethylamine
CID 200957
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
Norendoxifen
CID 68037237
4-Benzyloxyamphetamine
CID 134616
2-(4-Benzylphenoxy)ethanamine
CID 10609349

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol?
The IUPAC name of 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol (CID 121373935) is 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol.
What is the SMILES notation for 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol?
The canonical SMILES for 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol is COc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol?
The InChIKey is IWQUPGAHIQDIFH-XDBUWWOUSA-N. The full InChI is InChI=1S/C23H25NO2/c1-18(16-17-24)4-3-5-20(21-10-14-23(26-2)15-11-21)9-6-19-7-12-22(25)13-8-19/h3-16,25H,17,24H2,1-2H3/b4-3+,9-6+,18-16+,20-5-.
What are the key properties of 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol?
4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol has a molecular weight of 347.46 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol is sourced from PubChem (CID 121373935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).