3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate

C28H24O5 — CID 170034819

IUPAC3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(-c2ccc3c(c2)oc2c(C)c(OC(=O)C=C)ccc23)cc1
InChIInChI=1S/C28H24O5/c1-4-26(29)31-16-6-7-19-8-10-20(11-9-19)21-12-13-22-23-14-15-24(32-27(30)5-2)18(3)28(23)33-25(22)17-21/h4-5,8-15,17H,1-2,6-7,16H2,3H3
InChIKeyRNYMPQQBNTUAHG-UHFFFAOYSA-N
MW440.50 g/mol
LogP6.31
Rot. Bonds8

About 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate

3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate (PubChem CID 170034819) has the molecular formula C28H24O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate
PubChem CID170034819
Molecular FormulaC28H24O5
Molecular Weight440.50 g/mol
Exact Mass440.16
IUPAC Name3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(-c2ccc3c(c2)oc2c(C)c(OC(=O)C=C)ccc23)cc1
InChIInChI=1S/C28H24O5/c1-4-26(29)31-16-6-7-19-8-10-20(11-9-19)21-12-13-22-23-14-15-24(32-27(30)5-2)18(3)28(23)33-25(22)17-21/h4-5,8-15,17H,1-2,6-7,16H2,3H3
InChIKeyRNYMPQQBNTUAHG-UHFFFAOYSA-N
XLogP6.31
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-[4-(6-fluoro-7-prop-2-enoyloxydibenzothiophen-3-yl)phenyl]propyl prop-2-enoate
CID 170030848
3-[4-[6-fluoro-7-prop-2-enoyloxy-4-(trifluoromethyl)dibenzofuran-3-yl]phenyl]propyl prop-2-enoate
CID 170034770
[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate
CID 170034889
3-[7-prop-2-enoyloxy-4,6-bis(trifluoromethoxy)dibenzofuran-3-yl]propyl prop-2-enoate
CID 170034369
3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
CID 67718834
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
3-[4-fluoro-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]propyl prop-2-enoate
CID 170034174
2-[3-(hydroxymethyl)-7-(4-pentylphenyl)naphthalen-2-yl]ethyl prop-2-enoate
CID 134193101
3-[3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]-5-(3-prop-2-enoyloxypropyl)phenyl]propyl prop-2-enoate
CID 58876614
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate?
The IUPAC name of 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate (CID 170034819) is 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate?
The canonical SMILES for 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate is C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)oc2c(C)c(OC(=O)C=C)ccc23)cc1.
What is the InChIKey of 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate?
The InChIKey is RNYMPQQBNTUAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O5/c1-4-26(29)31-16-6-7-19-8-10-20(11-9-19)21-12-13-22-23-14-15-24(32-27(30)5-2)18(3)28(23)33-25(22)17-21/h4-5,8-15,17H,1-2,6-7,16H2,3H3.
What are the key properties of 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate?
3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate has a molecular weight of 440.50 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate is sourced from PubChem (CID 170034819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).