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

C17H17NO3 — CID 80649119

IUPAC(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCc1ccoc1C(=O)c1c[nH]c2ccc(OC(C)C)cc12
InChIInChI=1S/C17H17NO3/c1-10(2)21-12-4-5-15-13(8-12)14(9-18-15)16(19)17-11(3)6-7-20-17/h4-10,18H,1-3H3
InChIKeyVSTFXSWSSRSDHY-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.09
Rot. Bonds4

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

(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (PubChem CID 80649119) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
PubChem CID80649119
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
SMILESCc1ccoc1C(=O)c1c[nH]c2ccc(OC(C)C)cc12
InChIInChI=1S/C17H17NO3/c1-10(2)21-12-4-5-15-13(8-12)14(9-18-15)16(19)17-11(3)6-7-20-17/h4-10,18H,1-3H3
InChIKeyVSTFXSWSSRSDHY-UHFFFAOYSA-N
XLogP4.09
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylfuran-3-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649113
1H-indol-3-yl-(3-methylfuran-2-yl)methanone
CID 43463194
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
(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649231
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
CID 62046005
(2-methylcyclopentyl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 107176640
(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone
CID 10361508
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151388

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone (CID 80649119) is (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is Cc1ccoc1C(=O)c1c[nH]c2ccc(OC(C)C)cc12.
What is the InChIKey of (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
The InChIKey is VSTFXSWSSRSDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10(2)21-12-4-5-15-13(8-12)14(9-18-15)16(19)17-11(3)6-7-20-17/h4-10,18H,1-3H3.
What are the key properties of (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone?
(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 80649119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).