4-(1,2-dimethylindol-3-yl)phenol

C16H15NO — CID 82039937

IUPAC4-(1,2-dimethylindol-3-yl)phenol
SMILESCc1c(-c2ccc(O)cc2)c2ccccc2n1C
InChIInChI=1S/C16H15NO/c1-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17(11)2/h3-10,18H,1-2H3
InChIKeyZOFSDWRXYORQSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.86
Rot. Bonds1

About 4-(1,2-dimethylindol-3-yl)phenol

4-(1,2-dimethylindol-3-yl)phenol (PubChem CID 82039937) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(1,2-dimethylindol-3-yl)phenol.

Molecular Properties

Compound Name4-(1,2-dimethylindol-3-yl)phenol
PubChem CID82039937
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-(1,2-dimethylindol-3-yl)phenol
SMILESCc1c(-c2ccc(O)cc2)c2ccccc2n1C
InChIInChI=1S/C16H15NO/c1-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17(11)2/h3-10,18H,1-2H3
InChIKeyZOFSDWRXYORQSI-UHFFFAOYSA-N
XLogP3.86
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylindol-3-yl)phenol?
The IUPAC name of 4-(1,2-dimethylindol-3-yl)phenol (CID 82039937) is 4-(1,2-dimethylindol-3-yl)phenol.
What is the SMILES notation for 4-(1,2-dimethylindol-3-yl)phenol?
The canonical SMILES for 4-(1,2-dimethylindol-3-yl)phenol is Cc1c(-c2ccc(O)cc2)c2ccccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindol-3-yl)phenol?
The InChIKey is ZOFSDWRXYORQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17(11)2/h3-10,18H,1-2H3.
What are the key properties of 4-(1,2-dimethylindol-3-yl)phenol?
4-(1,2-dimethylindol-3-yl)phenol has a molecular weight of 237.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindol-3-yl)phenol is sourced from PubChem (CID 82039937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).