1-(furan-3-ylmethyl)-4-propan-2-yloxyindole

C16H17NO2 — CID 83182716

IUPAC1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ccoc1
InChIInChI=1S/C16H17NO2/c1-12(2)19-16-5-3-4-15-14(16)6-8-17(15)10-13-7-9-18-11-13/h3-9,11-12H,10H2,1-2H3
InChIKeyCEEWAORUGYKKLU-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.07
Rot. Bonds4

About 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole

1-(furan-3-ylmethyl)-4-propan-2-yloxyindole (PubChem CID 83182716) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
PubChem CID83182716
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ccoc1
InChIInChI=1S/C16H17NO2/c1-12(2)19-16-5-3-4-15-14(16)6-8-17(15)10-13-7-9-18-11-13/h3-9,11-12H,10H2,1-2H3
InChIKeyCEEWAORUGYKKLU-UHFFFAOYSA-N
XLogP4.07
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole?
The IUPAC name of 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole (CID 83182716) is 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole is CC(C)Oc1cccc2c1ccn2Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole?
The InChIKey is CEEWAORUGYKKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(2)19-16-5-3-4-15-14(16)6-8-17(15)10-13-7-9-18-11-13/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole?
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole has a molecular weight of 255.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-propan-2-yloxyindole is sourced from PubChem (CID 83182716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).