(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate

C19H16O5 — CID 24592521

IUPAC(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
SMILESCOc1ccccc1OC(=O)/C=C/c1cc2cccc(OC)c2o1
InChIInChI=1S/C19H16O5/c1-21-15-7-3-4-8-16(15)24-18(20)11-10-14-12-13-6-5-9-17(22-2)19(13)23-14/h3-12H,1-2H3/b11-10+
InChIKeyQTHBGTHCLHYQJX-ZHACJKMWSA-N
MW324.33 g/mol
LogP4.07
Rot. Bonds5

About (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate

(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate (PubChem CID 24592521) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
PubChem CID24592521
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
SMILESCOc1ccccc1OC(=O)/C=C/c1cc2cccc(OC)c2o1
InChIInChI=1S/C19H16O5/c1-21-15-7-3-4-8-16(15)24-18(20)11-10-14-12-13-6-5-9-17(22-2)19(13)23-14/h3-12H,1-2H3/b11-10+
InChIKeyQTHBGTHCLHYQJX-ZHACJKMWSA-N
XLogP4.07
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate?
The IUPAC name of (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate (CID 24592521) is (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate.
What is the SMILES notation for (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate?
The canonical SMILES for (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate is COc1ccccc1OC(=O)/C=C/c1cc2cccc(OC)c2o1.
What is the InChIKey of (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate?
The InChIKey is QTHBGTHCLHYQJX-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16O5/c1-21-15-7-3-4-8-16(15)24-18(20)11-10-14-12-13-6-5-9-17(22-2)19(13)23-14/h3-12H,1-2H3/b11-10+.
What are the key properties of (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate?
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate has a molecular weight of 324.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 24592521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).