methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate

C12H10O3 — CID 1479262

IUPACmethyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc2ccccc2o1
InChIInChI=1S/C12H10O3/c1-14-12(13)7-6-10-8-9-4-2-3-5-11(9)15-10/h2-8H,1H3/b7-6+
InChIKeyAEIWLZWROAICTP-VOTSOKGWSA-N
MW202.21 g/mol
LogP2.62
Rot. Bonds2

About methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate

methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate (PubChem CID 1479262) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate
PubChem CID1479262
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namemethyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc2ccccc2o1
InChIInChI=1S/C12H10O3/c1-14-12(13)7-6-10-8-9-4-2-3-5-11(9)15-10/h2-8H,1H3/b7-6+
InChIKeyAEIWLZWROAICTP-VOTSOKGWSA-N
XLogP2.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.62
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

Benzofuran
CID 9223
Dibenzofuran
CID 568
Phenyl benzoate
CID 7169
2-Benzofurancarboxaldehyde
CID 61341
Anthocyanins
CID 145858
2,3-Dimethylbenzofuran
CID 2734646
2(3H)-Benzofuranone
CID 68382
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
Benzofuran-2-carboxylic acid
CID 10331
2-Methylbenzofuran
CID 20263
Furaprofen
CID 37801
2-Acetylbenzofuran
CID 15435

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate (CID 1479262) is methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate is COC(=O)/C=C/c1cc2ccccc2o1.
What is the InChIKey of methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate?
The InChIKey is AEIWLZWROAICTP-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-12(13)7-6-10-8-9-4-2-3-5-11(9)15-10/h2-8H,1H3/b7-6+.
What are the key properties of methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate?
methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate has a molecular weight of 202.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 1479262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).