(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone

C16H14BrNO3 — CID 80649231

IUPAC(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCC(C)Oc1ccc2[nH]cc(C(=O)c3ccc(Br)o3)c2c1
InChIInChI=1S/C16H14BrNO3/c1-9(2)20-10-3-4-13-11(7-10)12(8-18-13)16(19)14-5-6-15(17)21-14/h3-9,18H,1-2H3
InChIKeyCLKGMRNRJSBLKF-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.54
Rot. Bonds4

About (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone

(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (PubChem CID 80649231) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
PubChem CID80649231
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCC(C)Oc1ccc2[nH]cc(C(=O)c3ccc(Br)o3)c2c1
InChIInChI=1S/C16H14BrNO3/c1-9(2)20-10-3-4-13-11(7-10)12(8-18-13)16(19)14-5-6-15(17)21-14/h3-9,18H,1-2H3
InChIKeyCLKGMRNRJSBLKF-UHFFFAOYSA-N
XLogP4.54
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
2-oxo-2-(5-propan-2-yloxy-1H-indol-3-yl)acetic acid
CID 80502669
(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649113
(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649119
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 106683863
(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 107176640
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300
(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151388
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (CID 80649231) is (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is CC(C)Oc1ccc2[nH]cc(C(=O)c3ccc(Br)o3)c2c1.
What is the InChIKey of (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The InChIKey is CLKGMRNRJSBLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-9(2)20-10-3-4-13-11(7-10)12(8-18-13)16(19)14-5-6-15(17)21-14/h3-9,18H,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone has a molecular weight of 348.20 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 80649231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).