2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol

C16H15NO2 — CID 13408404

IUPAC2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol
SMILESCc1c(-c2cccc(O)c2)n(C)c2ccc(O)cc12
InChIInChI=1S/C16H15NO2/c1-10-14-9-13(19)6-7-15(14)17(2)16(10)11-4-3-5-12(18)8-11/h3-9,18-19H,1-2H3
InChIKeyQSYUSTUIYNQKMR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.56
Rot. Bonds1

About 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol

2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol (PubChem CID 13408404) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol
PubChem CID13408404
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol
SMILESCc1c(-c2cccc(O)c2)n(C)c2ccc(O)cc12
InChIInChI=1S/C16H15NO2/c1-10-14-9-13(19)6-7-15(14)17(2)16(10)11-4-3-5-12(18)8-11/h3-9,18-19H,1-2H3
InChIKeyQSYUSTUIYNQKMR-UHFFFAOYSA-N
XLogP3.56
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol (CID 13408404) is 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol is Cc1c(-c2cccc(O)c2)n(C)c2ccc(O)cc12.
What is the InChIKey of 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol?
The InChIKey is QSYUSTUIYNQKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-14-9-13(19)6-7-15(14)17(2)16(10)11-4-3-5-12(18)8-11/h3-9,18-19H,1-2H3.
What are the key properties of 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol?
2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol has a molecular weight of 253.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1,3-dimethylindol-5-ol is sourced from PubChem (CID 13408404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).