[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate

C20H22O6 — CID 13436223

IUPAC[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate
SMILESCOc1ccccc1OC/C=C/c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C20H22O6/c1-14(21)26-20-18(23-3)12-15(13-19(20)24-4)8-7-11-25-17-10-6-5-9-16(17)22-2/h5-10,12-13H,11H2,1-4H3/b8-7+
InChIKeyYLLCRHOXATWDHF-BQYQJAHWSA-N
MW358.39 g/mol
LogP3.73
Rot. Bonds8

About [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate

[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate (PubChem CID 13436223) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate
PubChem CID13436223
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate
SMILESCOc1ccccc1OC/C=C/c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C20H22O6/c1-14(21)26-20-18(23-3)12-15(13-19(20)24-4)8-7-11-25-17-10-6-5-9-16(17)22-2/h5-10,12-13H,11H2,1-4H3/b8-7+
InChIKeyYLLCRHOXATWDHF-BQYQJAHWSA-N
XLogP3.73
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate
CID 162915010
3-[4-acetyloxy-3-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenyl]-5-methoxyphenyl]prop-2-enyl acetate
CID 163044614
[4-(3-azidoprop-1-enyl)-2,6-dimethoxyphenyl] acetate
CID 169462842
3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
CID 162966956
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 72738902
[4-[(E)-3,5-dioxohex-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 134156123
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
CID 613644
(E)-4-(2-methoxyphenoxy)but-2-enoic acid
CID 62342886
N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
CID 25237262
[4-[(E)-2-[4-[(E)-2-(4-acetyloxy-3,5-dimethoxyphenyl)ethenyl]-5,6,7,8-tetrafluoronaphthalen-1-yl]ethenyl]-2,6-dimethoxyphenyl] acetate
CID 59742494
[4-[3-(diethylamino)-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 123248209

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate (CID 13436223) is [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate is COc1ccccc1OC/C=C/c1cc(OC)c(OC(C)=O)c(OC)c1.
What is the InChIKey of [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate?
The InChIKey is YLLCRHOXATWDHF-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H22O6/c1-14(21)26-20-18(23-3)12-15(13-19(20)24-4)8-7-11-25-17-10-6-5-9-16(17)22-2/h5-10,12-13H,11H2,1-4H3/b8-7+.
What are the key properties of [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate?
[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate has a molecular weight of 358.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate is sourced from PubChem (CID 13436223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).