5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran

C13H16O3 — CID 86231271

IUPAC5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C(C)C1Cc2cc(OC)c(OC)cc2O1
InChIInChI=1S/C13H16O3/c1-8(2)10-5-9-6-12(14-3)13(15-4)7-11(9)16-10/h6-7,10H,1,5H2,2-4H3
InChIKeyDZWVGWIVGSAXKU-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.58
Rot. Bonds3

About 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran

5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 86231271) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
PubChem CID86231271
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C(C)C1Cc2cc(OC)c(OC)cc2O1
InChIInChI=1S/C13H16O3/c1-8(2)10-5-9-6-12(14-3)13(15-4)7-11(9)16-10/h6-7,10H,1,5H2,2-4H3
InChIKeyDZWVGWIVGSAXKU-UHFFFAOYSA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
(1R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol
CID 10871871
(1R,6R,13R)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol
CID 46939889
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
CID 137018770
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744
(2R)-5-(7,8-dimethoxy-3a,9b-dimethyl-5H-isochromeno[4,3-d][1,2]oxazol-1-yl)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol
CID 137123633
(6R)-10-hydroxy-16,17-dimethoxy-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 5490819
3-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid
CID 85177007
(7-methoxy-3-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-yl) acetate
CID 154203925
5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 11163118
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
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

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran (CID 86231271) is 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran is C=C(C)C1Cc2cc(OC)c(OC)cc2O1.
What is the InChIKey of 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is DZWVGWIVGSAXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8(2)10-5-9-6-12(14-3)13(15-4)7-11(9)16-10/h6-7,10H,1,5H2,2-4H3.
What are the key properties of 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 220.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 86231271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).