(5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran

C18H16O2 — CID 163188979

IUPAC(5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran
SMILESCOC1=C2C=CO[C@H]2C=C/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H16O2/c1-19-18-15(10-11-17-16(18)12-13-20-17)9-5-8-14-6-3-2-4-7-14/h2-13,17H,1H3/b8-5+,15-9+/t17-/m0/s1
InChIKeyHKKZOACEVJJVAR-CPIRZYDESA-N
MW264.32 g/mol
LogP4.01
Rot. Bonds3

About (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran

(5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran (PubChem CID 163188979) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran.

Molecular Properties

Compound Name(5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran
PubChem CID163188979
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran
SMILESCOC1=C2C=CO[C@H]2C=C/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H16O2/c1-19-18-15(10-11-17-16(18)12-13-20-17)9-5-8-14-6-3-2-4-7-14/h2-13,17H,1H3/b8-5+,15-9+/t17-/m0/s1
InChIKeyHKKZOACEVJJVAR-CPIRZYDESA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Methoxy-1-propenyl)benzene
CID 5462920
6-[(E)-2-phenylethenyl]-4-propoxypyran-2-one
CID 137640010
p-Methoxypropenylbenzol
CID 27791
beta-Isopropoxystyrene, (E)
CID 12729252
3-Ethoxy-hexa-1,5-dienyl-benzene
CID 595191
(e)-[3-(Vinyloxy) prop-1-en-1-yl]benzene
CID 10855767
2-[(E)-2-phenylethenyl]oxirane
CID 10909705
[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
CID 10932247
[(1E)-3-methoxy-1-butenyl]benzene
CID 11030150
Z-2,3-Dimethoxypropenylbenzene
CID 6440274
[(Z)-2-fluoro-3-methoxybut-1-enyl]benzene
CID 166437188
[(Z)-2-fluoro-3-methoxypent-1-enyl]benzene
CID 166438250

Frequently Asked Questions

What is the IUPAC name of (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran?
The IUPAC name of (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran (CID 163188979) is (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran.
What is the SMILES notation for (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran?
The canonical SMILES for (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran is COC1=C2C=CO[C@H]2C=C/C1=C\C=C\c1ccccc1.
What is the InChIKey of (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran?
The InChIKey is HKKZOACEVJJVAR-CPIRZYDESA-N. The full InChI is InChI=1S/C18H16O2/c1-19-18-15(10-11-17-16(18)12-13-20-17)9-5-8-14-6-3-2-4-7-14/h2-13,17H,1H3/b8-5+,15-9+/t17-/m0/s1.
What are the key properties of (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran?
(5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran has a molecular weight of 264.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7aS)-4-methoxy-5-[(E)-3-phenylprop-2-enylidene]-7aH-1-benzofuran is sourced from PubChem (CID 163188979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).