[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate

C22H22O5 — CID 23259954

IUPAC[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate
SMILESC=CCc1ccc(Oc2cc(CC=C)cc(OC(C)=O)c2OC(C)=O)cc1
InChIInChI=1S/C22H22O5/c1-5-7-17-9-11-19(12-10-17)27-21-14-18(8-6-2)13-20(25-15(3)23)22(21)26-16(4)24/h5-6,9-14H,1-2,7-8H2,3-4H3
InChIKeyVUPWRWHGDBMLCF-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.79
Rot. Bonds8

About [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate

[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate (PubChem CID 23259954) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate
PubChem CID23259954
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate
SMILESC=CCc1ccc(Oc2cc(CC=C)cc(OC(C)=O)c2OC(C)=O)cc1
InChIInChI=1S/C22H22O5/c1-5-7-17-9-11-19(12-10-17)27-21-14-18(8-6-2)13-20(25-15(3)23)22(21)26-16(4)24/h5-6,9-14H,1-2,7-8H2,3-4H3
InChIKeyVUPWRWHGDBMLCF-UHFFFAOYSA-N
XLogP4.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
CID 67944878
(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
[2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
CID 45269977
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate
CID 14261267
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
(4-prop-2-enylphenyl) 2-hydroperoxyacetate
CID 88806265
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate?
The IUPAC name of [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate (CID 23259954) is [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate.
What is the SMILES notation for [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate?
The canonical SMILES for [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate is C=CCc1ccc(Oc2cc(CC=C)cc(OC(C)=O)c2OC(C)=O)cc1.
What is the InChIKey of [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate?
The InChIKey is VUPWRWHGDBMLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-5-7-17-9-11-19(12-10-17)27-21-14-18(8-6-2)13-20(25-15(3)23)22(21)26-16(4)24/h5-6,9-14H,1-2,7-8H2,3-4H3.
What are the key properties of [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate?
[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate has a molecular weight of 366.41 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate is sourced from PubChem (CID 23259954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).