(E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one

C25H30O7 — CID 162694676

IUPAC(E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one
SMILESCOc1cc(/C=C/CC(C/C=C/c2cc(OC)c(O)c(OC)c2)C(C)=O)cc(OC)c1O
InChIInChI=1S/C25H30O7/c1-16(26)19(10-6-8-17-12-20(29-2)24(27)21(13-17)30-3)11-7-9-18-14-22(31-4)25(28)23(15-18)32-5/h6-9,12-15,19,27-28H,10-11H2,1-5H3/b8-6+,9-7+
InChIKeyFAOLYUBUAZKTPA-CDJQDVQCSA-N
MW442.51 g/mol
LogP4.84
Rot. Bonds11

About (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one

(E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one (PubChem CID 162694676) has the molecular formula C25H30O7 and a molecular weight of 442.51 g/mol. Its IUPAC name is (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one.

Molecular Properties

Compound Name(E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one
PubChem CID162694676
Molecular FormulaC25H30O7
Molecular Weight442.51 g/mol
Exact Mass442.20
IUPAC Name(E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one
SMILESCOc1cc(/C=C/CC(C/C=C/c2cc(OC)c(O)c(OC)c2)C(C)=O)cc(OC)c1O
InChIInChI=1S/C25H30O7/c1-16(26)19(10-6-8-17-12-20(29-2)24(27)21(13-17)30-3)11-7-9-18-14-22(31-4)25(28)23(15-18)32-5/h6-9,12-15,19,27-28H,10-11H2,1-5H3/b8-6+,9-7+
InChIKeyFAOLYUBUAZKTPA-CDJQDVQCSA-N
XLogP4.84
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
S-[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169458511
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 2-methylprop-2-enoate
CID 139950809
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
sodium (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 139662068
acetyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 87453578
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
CID 54240947
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 73438577
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375

Frequently Asked Questions

What is the IUPAC name of (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one?
The IUPAC name of (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one (CID 162694676) is (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one.
What is the SMILES notation for (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one?
The canonical SMILES for (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one is COc1cc(/C=C/CC(C/C=C/c2cc(OC)c(O)c(OC)c2)C(C)=O)cc(OC)c1O.
What is the InChIKey of (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one?
The InChIKey is FAOLYUBUAZKTPA-CDJQDVQCSA-N. The full InChI is InChI=1S/C25H30O7/c1-16(26)19(10-6-8-17-12-20(29-2)24(27)21(13-17)30-3)11-7-9-18-14-22(31-4)25(28)23(15-18)32-5/h6-9,12-15,19,27-28H,10-11H2,1-5H3/b8-6+,9-7+.
What are the key properties of (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one?
(E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one has a molecular weight of 442.51 g/mol, XLogP of 4.84, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]hex-5-en-2-one is sourced from PubChem (CID 162694676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).