(6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate

C20H18O5 — CID 170050512

IUPAC(6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2c(c1)oc1c(C)c(OC(=O)CC)ccc12
InChIInChI=1S/C20H18O5/c1-5-18(21)24-16-9-8-15-14-7-6-13(23-20(22)11(2)3)10-17(14)25-19(15)12(16)4/h6-10H,2,5H2,1,3-4H3
InChIKeyHTGRIIMRWWLGEH-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.69
Rot. Bonds4

About (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate

(6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate (PubChem CID 170050512) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate
PubChem CID170050512
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2c(c1)oc1c(C)c(OC(=O)CC)ccc12
InChIInChI=1S/C20H18O5/c1-5-18(21)24-16-9-8-15-14-7-6-13(23-20(22)11(2)3)10-17(14)25-19(15)12(16)4/h6-10H,2,5H2,1,3-4H3
InChIKeyHTGRIIMRWWLGEH-UHFFFAOYSA-N
XLogP4.69
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.69
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-oxo-6-propanoyloxychromen-2-yl)phenyl] 2-methylprop-2-enoate
CID 134268464
[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 139527455
[9-oxo-6,7-di(propanoyloxy)xanthen-3-yl] propanoate
CID 56596785
(3-chloro-4,8-dimethyl-2-oxochromen-7-yl) propanoate
CID 882078
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545
(6-acetyloxy-5-methyl-9-oxoxanthen-2-yl) acetate
CID 71397936
3-[4-[4-methoxy-7-(2-methylprop-2-enoyloxy)dibenzofuran-3-yl]phenyl]propyl 2-methylprop-2-enoate
CID 170034520
(4,6-dimethoxy-7-propanoyloxydibenzothiophen-3-yl) 2-methylprop-2-enoate
CID 170024961
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
[4-[3-(4-propanoyloxyphenyl)-5-prop-1-en-2-ylphenyl]phenyl] 2-methylprop-2-enoate
CID 146659672
[4-[4-(2-fluoro-4-propanoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 146508311

Frequently Asked Questions

What is the IUPAC name of (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate (CID 170050512) is (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2c(c1)oc1c(C)c(OC(=O)CC)ccc12.
What is the InChIKey of (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate?
The InChIKey is HTGRIIMRWWLGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-5-18(21)24-16-9-8-15-14-7-6-13(23-20(22)11(2)3)10-17(14)25-19(15)12(16)4/h6-10H,2,5H2,1,3-4H3.
What are the key properties of (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate?
(6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate has a molecular weight of 338.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-7-propanoyloxydibenzofuran-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 170050512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).