6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one

C17H13NO3 — CID 141435735

IUPAC6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one
SMILESO=C1c2ccc(O)cc2OC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO3/c19-11-5-6-13-15(8-11)21-16(17(13)20)7-10-9-18-14-4-2-1-3-12(10)14/h1-6,8-9,16,18-19H,7H2
InChIKeyYDUNQYOMBFNFEM-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.06
Rot. Bonds2

About 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one

6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one (PubChem CID 141435735) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one
PubChem CID141435735
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one
SMILESO=C1c2ccc(O)cc2OC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO3/c19-11-5-6-13-15(8-11)21-16(17(13)20)7-10-9-18-14-4-2-1-3-12(10)14/h1-6,8-9,16,18-19H,7H2
InChIKeyYDUNQYOMBFNFEM-UHFFFAOYSA-N
XLogP3.06
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
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CID 18923893
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
(3S,6S,9R)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-9-(sulfanylmethyl)-1,4,7-triazonane-2,5,8-trione
CID 58652472
1-(1H-indol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 121305536
barium(2+);1H-indol-3-ylmethanesulfonic acid
CID 54605499
4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol
CID 135824845
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
(3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 54467062
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one
CID 10245452
3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
CID 11426973

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one?
The IUPAC name of 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one (CID 141435735) is 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one.
What is the SMILES notation for 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one?
The canonical SMILES for 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one is O=C1c2ccc(O)cc2OC1Cc1c[nH]c2ccccc12.
What is the InChIKey of 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one?
The InChIKey is YDUNQYOMBFNFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-11-5-6-13-15(8-11)21-16(17(13)20)7-10-9-18-14-4-2-1-3-12(10)14/h1-6,8-9,16,18-19H,7H2.
What are the key properties of 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one?
6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one has a molecular weight of 279.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(1H-indol-3-ylmethyl)-1-benzofuran-3-one is sourced from PubChem (CID 141435735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).