[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate

C26H20O5 — CID 170034889

IUPAC[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3c(oc4c(C)c(OC(=O)C=C)ccc43)c2C)cc1
InChIInChI=1S/C26H20O5/c1-5-23(27)29-18-9-7-17(8-10-18)19-11-12-20-21-13-14-22(30-24(28)6-2)16(4)26(21)31-25(20)15(19)3/h5-14H,1-2H2,3-4H3
InChIKeyNDWDCFDJYPZTNL-UHFFFAOYSA-N
MW412.44 g/mol
LogP6.05
Rot. Bonds5

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

[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate (PubChem CID 170034889) has the molecular formula C26H20O5 and a molecular weight of 412.44 g/mol. Its IUPAC name is [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate
PubChem CID170034889
Molecular FormulaC26H20O5
Molecular Weight412.44 g/mol
Exact Mass412.13
IUPAC Name[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3c(oc4c(C)c(OC(=O)C=C)ccc43)c2C)cc1
InChIInChI=1S/C26H20O5/c1-5-23(27)29-18-9-7-17(8-10-18)19-11-12-20-21-13-14-22(30-24(28)6-2)16(4)26(21)31-25(20)15(19)3/h5-14H,1-2H2,3-4H3
InChIKeyNDWDCFDJYPZTNL-UHFFFAOYSA-N
XLogP6.05
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-methoxy-7-prop-2-enoyloxy-6-(trifluoromethyl)dibenzofuran-3-yl]phenyl] prop-2-enoate
CID 170035434
[4-(6-fluoro-4-methyl-7-prop-2-enoyloxydibenzothiophen-3-yl)phenyl] prop-2-enoate
CID 170021957
[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate
CID 174664238
3-[4-(6-methyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl]propyl prop-2-enoate
CID 170034819
azane;(2-ethyl-3-methyl-4-phenylphenyl) prop-2-enoate;hydrochloride
CID 174661584
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 155139427
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethynyl]-2-prop-2-enoyloxyphenyl]phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605590
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
CID 138745445

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate?
The IUPAC name of [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate (CID 170034889) is [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate?
The canonical SMILES for [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc3c(oc4c(C)c(OC(=O)C=C)ccc43)c2C)cc1.
What is the InChIKey of [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate?
The InChIKey is NDWDCFDJYPZTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O5/c1-5-23(27)29-18-9-7-17(8-10-18)19-11-12-20-21-13-14-22(30-24(28)6-2)16(4)26(21)31-25(20)15(19)3/h5-14H,1-2H2,3-4H3.
What are the key properties of [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate?
[4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate has a molecular weight of 412.44 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethyl-7-prop-2-enoyloxydibenzofuran-3-yl)phenyl] prop-2-enoate is sourced from PubChem (CID 170034889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).