(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one

C18H14O3 — CID 10923878

IUPAC(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
SMILESCOc1c(C(=O)/C=C/c2ccccc2)ccc2occc12
InChIInChI=1S/C18H14O3/c1-20-18-14(8-10-17-15(18)11-12-21-17)16(19)9-7-13-5-3-2-4-6-13/h2-12H,1H3/b9-7+
InChIKeyKEJNXXMRDHDOCO-VQHVLOKHSA-N
MW278.31 g/mol
LogP4.34
Rot. Bonds4

About (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one

(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one (PubChem CID 10923878) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
PubChem CID10923878
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
SMILESCOc1c(C(=O)/C=C/c2ccccc2)ccc2occc12
InChIInChI=1S/C18H14O3/c1-20-18-14(8-10-17-15(18)11-12-21-17)16(19)9-7-13-5-3-2-4-6-13/h2-12H,1H3/b9-7+
InChIKeyKEJNXXMRDHDOCO-VQHVLOKHSA-N
XLogP4.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.34
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one (CID 10923878) is (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one is COc1c(C(=O)/C=C/c2ccccc2)ccc2occc12.
What is the InChIKey of (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
The InChIKey is KEJNXXMRDHDOCO-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-18-14(8-10-17-15(18)11-12-21-17)16(19)9-7-13-5-3-2-4-6-13/h2-12H,1H3/b9-7+.
What are the key properties of (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one?
(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one has a molecular weight of 278.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 10923878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).