(2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one

C24H24O5 — CID 178046171

IUPAC(2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one
SMILESC=C/C=C(C=C)/C=C/C(=O)c1c(OC)cc(OCc2ccccc2)c(OC)c1O
InChIInChI=1S/C24H24O5/c1-5-10-17(6-2)13-14-19(25)22-20(27-3)15-21(24(28-4)23(22)26)29-16-18-11-8-7-9-12-18/h5-15,26H,1-2,16H2,3-4H3/b14-13+,17-10+
InChIKeyHFXIPZVIADLFHX-SPNTWFQYSA-N
MW392.45 g/mol
LogP5.03
Rot. Bonds10

About (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one

(2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one (PubChem CID 178046171) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name(2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one
PubChem CID178046171
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name(2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one
SMILESC=C/C=C(C=C)/C=C/C(=O)c1c(OC)cc(OCc2ccccc2)c(OC)c1O
InChIInChI=1S/C24H24O5/c1-5-10-17(6-2)13-14-19(25)22-20(27-3)15-21(24(28-4)23(22)26)29-16-18-11-8-7-9-12-18/h5-15,26H,1-2,16H2,3-4H3/b14-13+,17-10+
InChIKeyHFXIPZVIADLFHX-SPNTWFQYSA-N
XLogP5.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
(Z)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92529712
(E)-1-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 134867863
(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 143913926
1-(2-hydroxy-3,4-dimethoxy-6-phenylmethoxyphenyl)dodecan-1-one
CID 14873626
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-[2-hydroxy-3,4,6-tris(phenylmethoxy)phenyl](113C)prop-2-en-1-one
CID 101023378
1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 123553272
(E)-1-[2,4-dimethoxy-3,6-bis(phenylmethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 10816288
1-(3,4-dimethoxy-5-phenylmethoxyphenyl)-3-(2-hydroxy-3,4-dimethoxyphenyl)propane-1,3-dione
CID 24750378
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 7152435
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one?
The IUPAC name of (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one (CID 178046171) is (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one.
What is the SMILES notation for (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one?
The canonical SMILES for (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one is C=C/C=C(C=C)/C=C/C(=O)c1c(OC)cc(OCc2ccccc2)c(OC)c1O.
What is the InChIKey of (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one?
The InChIKey is HFXIPZVIADLFHX-SPNTWFQYSA-N. The full InChI is InChI=1S/C24H24O5/c1-5-10-17(6-2)13-14-19(25)22-20(27-3)15-21(24(28-4)23(22)26)29-16-18-11-8-7-9-12-18/h5-15,26H,1-2,16H2,3-4H3/b14-13+,17-10+.
What are the key properties of (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one?
(2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one has a molecular weight of 392.45 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-ethenyl-1-(2-hydroxy-3,6-dimethoxy-4-phenylmethoxyphenyl)hepta-2,4,6-trien-1-one is sourced from PubChem (CID 178046171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).