1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone

C14H16O3 — CID 13164967

IUPAC1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESC=C(C)C1Cc2cc(C(C)=O)cc(OC)c2O1
InChIInChI=1S/C14H16O3/c1-8(2)12-7-11-5-10(9(3)15)6-13(16-4)14(11)17-12/h5-6,12H,1,7H2,2-4H3
InChIKeyXTPCJTNOXHWCNY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.78
Rot. Bonds3

About 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone

1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 13164967) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID13164967
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESC=C(C)C1Cc2cc(C(C)=O)cc(OC)c2O1
InChIInChI=1S/C14H16O3/c1-8(2)12-7-11-5-10(9(3)15)6-13(16-4)14(11)17-12/h5-6,12H,1,7H2,2-4H3
InChIKeyXTPCJTNOXHWCNY-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 13164967) is 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone is C=C(C)C1Cc2cc(C(C)=O)cc(OC)c2O1.
What is the InChIKey of 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is XTPCJTNOXHWCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-8(2)12-7-11-5-10(9(3)15)6-13(16-4)14(11)17-12/h5-6,12H,1,7H2,2-4H3.
What are the key properties of 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 232.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 13164967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).