4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol

C30H37NO2 — CID 70452870

IUPAC4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCCCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C30H37NO2/c1-4-29(24-12-8-7-9-13-24)30(25-14-18-27(32)19-15-25)26-16-20-28(21-17-26)33-23-11-6-5-10-22-31(2)3/h7-9,12-21,32H,4-6,10-11,22-23H2,1-3H3/b30-29-
InChIKeySYAHXXNKHGXVEB-FLWNBWAVSA-N
MW443.63 g/mol
LogP7.26
Rot. Bonds12

About 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol

4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 70452870) has the molecular formula C30H37NO2 and a molecular weight of 443.63 g/mol. Its IUPAC name is 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID70452870
Molecular FormulaC30H37NO2
Molecular Weight443.63 g/mol
Exact Mass443.28
IUPAC Name4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCCCCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C30H37NO2/c1-4-29(24-12-8-7-9-13-24)30(25-14-18-27(32)19-15-25)26-16-20-28(21-17-26)33-23-11-6-5-10-22-31(2)3/h7-9,12-21,32H,4-6,10-11,22-23H2,1-3H3/b30-29-
InChIKeySYAHXXNKHGXVEB-FLWNBWAVSA-N
XLogP7.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 57.26
H-Bond Donors ≤ 51
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

CID 11353698
CID 11353698
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 67686127
N,N-dimethyl-6-[4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl]peroxyhexan-1-amine
CID 143870390
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenyl)but-1-enyl]phenol
CID 70452979
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
CID 11827476
CID 11827476
4-[1-[4-[2-[2-aminooxyethyl(methyl)amino]ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 90864910
bis(3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol);hydrochloride
CID 174812460
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol (CID 70452870) is 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol is CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCCCCN(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is SYAHXXNKHGXVEB-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H37NO2/c1-4-29(24-12-8-7-9-13-24)30(25-14-18-27(32)19-15-25)26-16-20-28(21-17-26)33-23-11-6-5-10-22-31(2)3/h7-9,12-21,32H,4-6,10-11,22-23H2,1-3H3/b30-29-.
What are the key properties of 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol?
4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 443.63 g/mol, XLogP of 7.26, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 70452870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).