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

C12H10O3 — CID 1479261

IUPACmethyl 3-(1-benzofuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc2ccccc2o1
InChIInChI=1S/C12H10O3/c1-14-12(13)7-6-10-8-9-4-2-3-5-11(9)15-10/h2-8H,1H3
InChIKeyAEIWLZWROAICTP-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.62
Rot. Bonds2

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

methyl 3-(1-benzofuran-2-yl)prop-2-enoate (PubChem CID 1479261) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 3-(1-benzofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(1-benzofuran-2-yl)prop-2-enoate
PubChem CID1479261
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namemethyl 3-(1-benzofuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc2ccccc2o1
InChIInChI=1S/C12H10O3/c1-14-12(13)7-6-10-8-9-4-2-3-5-11(9)15-10/h2-8H,1H3
InChIKeyAEIWLZWROAICTP-UHFFFAOYSA-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

(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
methyl 2-[3-(1-benzofuran-2-yl)prop-2-enoylamino]-3-methylpentanoate
CID 78832923
(E)-3-(1-benzofuran-2-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 60555532
(E)-3-(1-benzofuran-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 110886328
(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 118909526
(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 78890942
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900
(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
CID 18283459
(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
CID 32840230
(E)-3-(1-benzofuran-2-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 33315906
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 24592521
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-benzofuran-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(1-benzofuran-2-yl)prop-2-enoate (CID 1479261) is methyl 3-(1-benzofuran-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(1-benzofuran-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(1-benzofuran-2-yl)prop-2-enoate is COC(=O)C=Cc1cc2ccccc2o1.
What is the InChIKey of methyl 3-(1-benzofuran-2-yl)prop-2-enoate?
The InChIKey is AEIWLZWROAICTP-UHFFFAOYSA-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.
What are the key properties of methyl 3-(1-benzofuran-2-yl)prop-2-enoate?
methyl 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 3-(1-benzofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 1479261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).