1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol

C20H25NO4 — CID 126779410

IUPAC1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol
SMILESOC(COCc1ccco1)CN1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C20H25NO4/c22-16(13-24-14-17-4-3-9-25-17)12-21-15-20(7-10-23-11-8-20)18-5-1-2-6-19(18)21/h1-6,9,16,22H,7-8,10-15H2
InChIKeyIIGWETDCHVDXNT-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.73
Rot. Bonds6

About 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol

1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol (PubChem CID 126779410) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol
PubChem CID126779410
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol
SMILESOC(COCc1ccco1)CN1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C20H25NO4/c22-16(13-24-14-17-4-3-9-25-17)12-21-15-20(7-10-23-11-8-20)18-5-1-2-6-19(18)21/h1-6,9,16,22H,7-8,10-15H2
InChIKeyIIGWETDCHVDXNT-UHFFFAOYSA-N
XLogP2.73
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
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2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 31580066
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
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4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol
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1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
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1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
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1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol (CID 126779410) is 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol is OC(COCc1ccco1)CN1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol?
The InChIKey is IIGWETDCHVDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-16(13-24-14-17-4-3-9-25-17)12-21-15-20(7-10-23-11-8-20)18-5-1-2-6-19(18)21/h1-6,9,16,22H,7-8,10-15H2.
What are the key properties of 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol?
1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol has a molecular weight of 343.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-spiro[2H-indole-3,4'-oxane]-1-ylpropan-2-ol is sourced from PubChem (CID 126779410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).