2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol

C26H28O5 — CID 139828265

IUPAC2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
SMILESCCOc1ccc(C=CC(O)c2ccc(OCc3ccccc3)cc2O)c(OCC)c1
InChIInChI=1S/C26H28O5/c1-3-29-22-12-10-20(26(17-22)30-4-2)11-15-24(27)23-14-13-21(16-25(23)28)31-18-19-8-6-5-7-9-19/h5-17,24,27-28H,3-4,18H2,1-2H3
InChIKeyWRAKKNCFGYGAGO-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.52
Rot. Bonds10

About 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol

2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol (PubChem CID 139828265) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
PubChem CID139828265
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
SMILESCCOc1ccc(C=CC(O)c2ccc(OCc3ccccc3)cc2O)c(OCC)c1
InChIInChI=1S/C26H28O5/c1-3-29-22-12-10-20(26(17-22)30-4-2)11-15-24(27)23-14-13-21(16-25(23)28)31-18-19-8-6-5-7-9-19/h5-17,24,27-28H,3-4,18H2,1-2H3
InChIKeyWRAKKNCFGYGAGO-UHFFFAOYSA-N
XLogP5.52
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828459
5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol
CID 139828357
4-[3-hydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828428
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
[3-dodecanoyloxy-4-[3-hydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-1-enyl]phenyl] dodecanoate
CID 139828437
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828129
2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]-5-methoxyphenol
CID 139828577
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
[3-acetyloxy-4-[3-(2-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxyprop-1-enyl]phenyl] acetate
CID 139828502
[4-[3-[2,4-bis(phenylmethoxy)phenyl]-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] dodecanoate
CID 139828645
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol (CID 139828265) is 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol is CCOc1ccc(C=CC(O)c2ccc(OCc3ccccc3)cc2O)c(OCC)c1.
What is the InChIKey of 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol?
The InChIKey is WRAKKNCFGYGAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O5/c1-3-29-22-12-10-20(26(17-22)30-4-2)11-15-24(27)23-14-13-21(16-25(23)28)31-18-19-8-6-5-7-9-19/h5-17,24,27-28H,3-4,18H2,1-2H3.
What are the key properties of 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol?
2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol has a molecular weight of 420.51 g/mol, XLogP of 5.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol is sourced from PubChem (CID 139828265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).