4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde

C13H14O3 — CID 13164970

IUPAC4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde
SMILESC=C(C)C1Cc2c(OC)ccc(C=O)c2O1
InChIInChI=1S/C13H14O3/c1-8(2)12-6-10-11(15-3)5-4-9(7-14)13(10)16-12/h4-5,7,12H,1,6H2,2-3H3
InChIKeyQADRHPYFZIBPHA-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.39
Rot. Bonds3

About 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde

4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde (PubChem CID 13164970) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde
PubChem CID13164970
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde
SMILESC=C(C)C1Cc2c(OC)ccc(C=O)c2O1
InChIInChI=1S/C13H14O3/c1-8(2)12-6-10-11(15-3)5-4-9(7-14)13(10)16-12/h4-5,7,12H,1,6H2,2-3H3
InChIKeyQADRHPYFZIBPHA-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The IUPAC name of 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde (CID 13164970) is 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde is C=C(C)C1Cc2c(OC)ccc(C=O)c2O1.
What is the InChIKey of 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The InChIKey is QADRHPYFZIBPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8(2)12-6-10-11(15-3)5-4-9(7-14)13(10)16-12/h4-5,7,12H,1,6H2,2-3H3.
What are the key properties of 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde?
4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde has a molecular weight of 218.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 13164970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).