(2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate

C19H16O3 — CID 153303362

IUPAC(2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H16O3/c1-13(2)19(20)21-12-14-8-9-16-11-18(22-17(16)10-14)15-6-4-3-5-7-15/h3-11H,1,12H2,2H3
InChIKeyMDSYAKVMSQSGDY-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.72
Rot. Bonds4

About (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate

(2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate (PubChem CID 153303362) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate
PubChem CID153303362
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name(2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc2cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H16O3/c1-13(2)19(20)21-12-14-8-9-16-11-18(22-17(16)10-14)15-6-4-3-5-7-15/h3-11H,1,12H2,2H3
InChIKeyMDSYAKVMSQSGDY-UHFFFAOYSA-N
XLogP4.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
(2-phenyl-1-benzofuran-6-yl)methanol
CID 19840311
[4-[3-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 139921070
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 134200555
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
[2,2-dimethyl-3-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]propyl] 2-methylprop-2-enoate
CID 146391454

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate (CID 153303362) is (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc2cc(-c3ccccc3)oc2c1.
What is the InChIKey of (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate?
The InChIKey is MDSYAKVMSQSGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-13(2)19(20)21-12-14-8-9-16-11-18(22-17(16)10-14)15-6-4-3-5-7-15/h3-11H,1,12H2,2H3.
What are the key properties of (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate?
(2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate has a molecular weight of 292.33 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1-benzofuran-6-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 153303362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).