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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Related Compounds

1-(7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 13164967
4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 135008237
5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 86231271
1-[(2S)-4-hydroxy-6-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
CID 162955606
5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 11163118
16,17-dimethoxy-21-methylidene-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
CID 163043790
(1R,6S,13R)-10,13-dihydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
CID 51537288
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethanone
CID 86124271
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
13-(fluoromethyl)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-ol
CID 89187185
2-bromo-1-(5,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl)ethanone
CID 18932641
7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
CID 135060366

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).