[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate

C26H24O4 — CID 22088303

IUPAC[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)c(C)c2C)cc1
InChIInChI=1S/C26H24O4/c1-5-20-7-11-22(12-8-20)26(27)30-25-16-15-24(18(3)19(25)4)29-17-28-23-13-9-21(6-2)10-14-23/h5-16H,1-2,17H2,3-4H3
InChIKeyRUTJBBBGXWOQNW-UHFFFAOYSA-N
MW400.47 g/mol
LogP6.22
Rot. Bonds8

About [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate

[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate (PubChem CID 22088303) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate
PubChem CID22088303
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Name[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)c(C)c2C)cc1
InChIInChI=1S/C26H24O4/c1-5-20-7-11-22(12-8-20)26(27)30-25-16-15-24(18(3)19(25)4)29-17-28-23-13-9-21(6-2)10-14-23/h5-16H,1-2,17H2,3-4H3
InChIKeyRUTJBBBGXWOQNW-UHFFFAOYSA-N
XLogP6.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate
CID 158374847
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
(2,3,4,5,6-pentafluorophenyl) 4-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]benzoate
CID 102125037
[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
CID 89477375
ethane;[4-[(4-methylphenoxy)methoxy]phenyl] 4-methylbenzoate
CID 90859529
(2,4-dimethylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 126651896
(4-butylphenyl) 4-[11-(4-ethenylphenoxy)undecoxy]benzoate
CID 101417269
(4-bromophenyl) 4-ethenylbenzoate
CID 102322748
[4-[4-[2,3-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenoxy]carbonylbenzoyl]oxyphenyl]boronic acid
CID 140945661
[4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-3-(trifluoromethyl)phenyl] 4-(ethenoxymethoxy)benzoate
CID 21036115
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate?
The IUPAC name of [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate (CID 22088303) is [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate.
What is the SMILES notation for [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate?
The canonical SMILES for [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate is C=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)c(C)c2C)cc1.
What is the InChIKey of [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate?
The InChIKey is RUTJBBBGXWOQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c1-5-20-7-11-22(12-8-20)26(27)30-25-16-15-24(18(3)19(25)4)29-17-28-23-13-9-21(6-2)10-14-23/h5-16H,1-2,17H2,3-4H3.
What are the key properties of [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate?
[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate has a molecular weight of 400.47 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate is sourced from PubChem (CID 22088303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).