(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one

C28H28O6 — CID 158934432

IUPAC(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one
SMILESCOc1cc(C/C=C\C(=O)c2ccccc2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C28H28O6/c1-31-25-18-21(11-8-12-23(29)20-9-6-5-7-10-20)22(17-24(25)30)14-13-19-15-26(32-2)28(34-4)27(16-19)33-3/h5-10,12-18,30H,11H2,1-4H3/b12-8-,14-13-
InChIKeyRFKBBLSKCQBHPB-PYASBWALSA-N
MW460.53 g/mol
LogP5.58
Rot. Bonds10

About (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one

(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one (PubChem CID 158934432) has the molecular formula C28H28O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one
PubChem CID158934432
Molecular FormulaC28H28O6
Molecular Weight460.53 g/mol
Exact Mass460.19
IUPAC Name(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one
SMILESCOc1cc(C/C=C\C(=O)c2ccccc2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C28H28O6/c1-31-25-18-21(11-8-12-23(29)20-9-6-5-7-10-20)22(17-24(25)30)14-13-19-15-26(32-2)28(34-4)27(16-19)33-3/h5-10,12-18,30H,11H2,1-4H3/b12-8-,14-13-
InChIKeyRFKBBLSKCQBHPB-PYASBWALSA-N
XLogP5.58
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(3-hydroxy-4-methoxyphenyl)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
CID 159572554
(Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
CID 159086560
(Z)-4-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3,4,5-trimethoxyphenyl)but-2-en-1-one
CID 157265302
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159313001
(Z)-3-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 118495376
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
1-phenyl-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154121936
(Z)-1-(3-amino-4-methoxyphenyl)-4-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
CID 160585514
4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159528223
(Z)-1-(3-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-1-(4-chlorophenyl)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3-fluorophenyl)but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethoxy)phenyl]but-2-en-1-one;(Z)-4-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one
CID 158944911
3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154196778
4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 157346582

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one?
The IUPAC name of (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one (CID 158934432) is (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one.
What is the SMILES notation for (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one?
The canonical SMILES for (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one is COc1cc(C/C=C\C(=O)c2ccccc2)c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one?
The InChIKey is RFKBBLSKCQBHPB-PYASBWALSA-N. The full InChI is InChI=1S/C28H28O6/c1-31-25-18-21(11-8-12-23(29)20-9-6-5-7-10-20)22(17-24(25)30)14-13-19-15-26(32-2)28(34-4)27(16-19)33-3/h5-10,12-18,30H,11H2,1-4H3/b12-8-,14-13-.
What are the key properties of (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one?
(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one has a molecular weight of 460.53 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one is sourced from PubChem (CID 158934432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).