[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate

C26H24O7 — CID 139828158

IUPAC[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
SMILESCC(=O)Oc1ccc(C(O)C=Cc2ccc(O)cc2OC(C)=O)c(OCc2ccccc2)c1
InChIInChI=1S/C26H24O7/c1-17(27)32-22-11-12-23(26(15-22)31-16-19-6-4-3-5-7-19)24(30)13-9-20-8-10-21(29)14-25(20)33-18(2)28/h3-15,24,29-30H,16H2,1-2H3
InChIKeyWLKZPISRTJSZIK-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.57
Rot. Bonds8

About [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate

[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate (PubChem CID 139828158) has the molecular formula C26H24O7 and a molecular weight of 448.47 g/mol. Its IUPAC name is [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
PubChem CID139828158
Molecular FormulaC26H24O7
Molecular Weight448.47 g/mol
Exact Mass448.15
IUPAC Name[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
SMILESCC(=O)Oc1ccc(C(O)C=Cc2ccc(O)cc2OC(C)=O)c(OCc2ccccc2)c1
InChIInChI=1S/C26H24O7/c1-17(27)32-22-11-12-23(26(15-22)31-16-19-6-4-3-5-7-19)24(30)13-9-20-8-10-21(29)14-25(20)33-18(2)28/h3-15,24,29-30H,16H2,1-2H3
InChIKeyWLKZPISRTJSZIK-UHFFFAOYSA-N
XLogP4.57
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-acetyloxy-4-[3-(2-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxyprop-1-enyl]phenyl] acetate
CID 139828502
4-[3-hydroxy-3-(4-hydroxy-2-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828595
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]-5-methoxyphenol
CID 139828577
[4-[3-[2,4-bis(phenylmethoxy)phenyl]-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] dodecanoate
CID 139828645
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828459
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828129
5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol
CID 139828357
[3-dodecanoyloxy-4-[3-hydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-1-enyl]phenyl] dodecanoate
CID 139828437
2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
CID 139828265
[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate
CID 139828284

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate?
The IUPAC name of [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate (CID 139828158) is [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate.
What is the SMILES notation for [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate?
The canonical SMILES for [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate is CC(=O)Oc1ccc(C(O)C=Cc2ccc(O)cc2OC(C)=O)c(OCc2ccccc2)c1.
What is the InChIKey of [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate?
The InChIKey is WLKZPISRTJSZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O7/c1-17(27)32-22-11-12-23(26(15-22)31-16-19-6-4-3-5-7-19)24(30)13-9-20-8-10-21(29)14-25(20)33-18(2)28/h3-15,24,29-30H,16H2,1-2H3.
What are the key properties of [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate?
[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate has a molecular weight of 448.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate is sourced from PubChem (CID 139828158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).