4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran

C19H20O3 — CID 146397591

IUPAC4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran
SMILESCC1C[C@H]1CC[C@H](Oc1cccc2occc12)c1ccoc1
InChIInChI=1S/C19H20O3/c1-13-11-14(13)5-6-17(15-7-9-20-12-15)22-19-4-2-3-18-16(19)8-10-21-18/h2-4,7-10,12-14,17H,5-6,11H2,1H3/t13?,14-,17+/m1/s1
InChIKeyHKTXEFHNJLAMNI-ROFXEPAZSA-N
MW296.37 g/mol
LogP5.58
Rot. Bonds6

About 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran

4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran (PubChem CID 146397591) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran.

Molecular Properties

Compound Name4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran
PubChem CID146397591
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran
SMILESCC1C[C@H]1CC[C@H](Oc1cccc2occc12)c1ccoc1
InChIInChI=1S/C19H20O3/c1-13-11-14(13)5-6-17(15-7-9-20-12-15)22-19-4-2-3-18-16(19)8-10-21-18/h2-4,7-10,12-14,17H,5-6,11H2,1H3/t13?,14-,17+/m1/s1
InChIKeyHKTXEFHNJLAMNI-ROFXEPAZSA-N
XLogP5.58
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran?
The IUPAC name of 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran (CID 146397591) is 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran.
What is the SMILES notation for 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran?
The canonical SMILES for 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran is CC1C[C@H]1CC[C@H](Oc1cccc2occc12)c1ccoc1.
What is the InChIKey of 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran?
The InChIKey is HKTXEFHNJLAMNI-ROFXEPAZSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-11-14(13)5-6-17(15-7-9-20-12-15)22-19-4-2-3-18-16(19)8-10-21-18/h2-4,7-10,12-14,17H,5-6,11H2,1H3/t13?,14-,17+/m1/s1.
What are the key properties of 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran?
4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran has a molecular weight of 296.37 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(furan-3-yl)-3-[(1R)-2-methylcyclopropyl]propoxy]-1-benzofuran is sourced from PubChem (CID 146397591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).