[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate

C22H26O6 — CID 139828284

IUPAC[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate
SMILESCCOc1ccc(C=CC(O)c2ccc(OC(C)=O)cc2OC)c(OCC)c1
InChIInChI=1S/C22H26O6/c1-5-26-17-9-7-16(21(13-17)27-6-2)8-12-20(24)19-11-10-18(28-15(3)23)14-22(19)25-4/h7-14,20,24H,5-6H2,1-4H3
InChIKeyNWKZBHPGROADGS-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.16
Rot. Bonds9

About [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate

[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate (PubChem CID 139828284) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate
PubChem CID139828284
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate
SMILESCCOc1ccc(C=CC(O)c2ccc(OC(C)=O)cc2OC)c(OCC)c1
InChIInChI=1S/C22H26O6/c1-5-26-17-9-7-16(21(13-17)27-6-2)8-12-20(24)19-11-10-18(28-15(3)23)14-22(19)25-4/h7-14,20,24H,5-6H2,1-4H3
InChIKeyNWKZBHPGROADGS-UHFFFAOYSA-N
XLogP4.16
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
[4-[3-(2,4-diacetyloxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] dodecanoate
CID 139828424
[3-acetyloxy-4-[3-(2-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxyprop-1-enyl]phenyl] acetate
CID 139828502
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828459
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
CID 139828158
[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate
CID 139828632
2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
CID 139828265
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol
CID 139828357
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
(E)-3-(2,4-diethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 139826664

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate?
The IUPAC name of [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate (CID 139828284) is [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate.
What is the SMILES notation for [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate?
The canonical SMILES for [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate is CCOc1ccc(C=CC(O)c2ccc(OC(C)=O)cc2OC)c(OCC)c1.
What is the InChIKey of [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate?
The InChIKey is NWKZBHPGROADGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-5-26-17-9-7-16(21(13-17)27-6-2)8-12-20(24)19-11-10-18(28-15(3)23)14-22(19)25-4/h7-14,20,24H,5-6H2,1-4H3.
What are the key properties of [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate?
[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate has a molecular weight of 386.44 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate is sourced from PubChem (CID 139828284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).