[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate

C22H26O6 — CID 21160693

IUPAC[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
SMILESC/C=C\c1ccc(OC(C)c2cc(OC)c(OC(C)=O)c(OC)c2)c(OC)c1
InChIInChI=1S/C22H26O6/c1-7-8-16-9-10-18(19(11-16)24-4)27-14(2)17-12-20(25-5)22(28-15(3)23)21(13-17)26-6/h7-14H,1-6H3/b8-7-
InChIKeyYXKDRWOVIURVFE-FPLPWBNLSA-N
MW386.44 g/mol
LogP4.81
Rot. Bonds8

About [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate

[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate (PubChem CID 21160693) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
PubChem CID21160693
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
SMILESC/C=C\c1ccc(OC(C)c2cc(OC)c(OC(C)=O)c(OC)c2)c(OC)c1
InChIInChI=1S/C22H26O6/c1-7-8-16-9-10-18(19(11-16)24-4)27-14(2)17-12-20(25-5)22(28-15(3)23)21(13-17)26-6/h7-14H,1-6H3/b8-7-
InChIKeyYXKDRWOVIURVFE-FPLPWBNLSA-N
XLogP4.81
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.81
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

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 6125186
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine
CID 76976965
ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
CID 76914392
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol
CID 164608626
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 17393273
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
3-[4-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate
CID 162915010
(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate
CID 162967037
(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 11372975

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate (CID 21160693) is [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate is C/C=C\c1ccc(OC(C)c2cc(OC)c(OC(C)=O)c(OC)c2)c(OC)c1.
What is the InChIKey of [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate?
The InChIKey is YXKDRWOVIURVFE-FPLPWBNLSA-N. The full InChI is InChI=1S/C22H26O6/c1-7-8-16-9-10-18(19(11-16)24-4)27-14(2)17-12-20(25-5)22(28-15(3)23)21(13-17)26-6/h7-14H,1-6H3/b8-7-.
What are the key properties of [2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate?
[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate has a molecular weight of 386.44 g/mol, XLogP of 4.81, 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-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate is sourced from PubChem (CID 21160693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).