2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol

C26H28O5 — CID 46226686

IUPAC2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H28O5/c1-6-20(19-15-23(29-3)26(31-5)24(16-19)30-4)25(17-10-8-7-9-11-17)18-12-13-22(28-2)21(27)14-18/h7-16,27H,6H2,1-5H3/b25-20-
InChIKeyBFGQIESXNRVOAN-QQTULTPQSA-N
MW420.51 g/mol
LogP5.80
Rot. Bonds8

About 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol

2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol (PubChem CID 46226686) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol
PubChem CID46226686
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H28O5/c1-6-20(19-15-23(29-3)26(31-5)24(16-19)30-4)25(17-10-8-7-9-11-17)18-12-13-22(28-2)21(27)14-18/h7-16,27H,6H2,1-5H3/b25-20-
InChIKeyBFGQIESXNRVOAN-QQTULTPQSA-N
XLogP5.80
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol
CID 90213605
3-hydroxy-4-methoxybenzoic acid
CID 12575
2,3-dichloro-4-[(Z)-1-[3-hydroxy-4-[2-(methylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol
CID 162345369
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
2-[4-[(E)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 177403376
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol?
The IUPAC name of 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol (CID 46226686) is 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol?
The canonical SMILES for 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol is CC/C(=C(\c1ccccc1)c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol?
The InChIKey is BFGQIESXNRVOAN-QQTULTPQSA-N. The full InChI is InChI=1S/C26H28O5/c1-6-20(19-15-23(29-3)26(31-5)24(16-19)30-4)25(17-10-8-7-9-11-17)18-12-13-22(28-2)21(27)14-18/h7-16,27H,6H2,1-5H3/b25-20-.
What are the key properties of 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol?
2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol has a molecular weight of 420.51 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol is sourced from PubChem (CID 46226686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).