2-(1H-indol-2-yl)phenol;sulfuric acid

C14H13NO5S — CID 155109187

IUPAC2-(1H-indol-2-yl)phenol;sulfuric acid
SMILESO=S(=O)(O)O.Oc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C14H11NO.H2O4S/c16-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)15-13;1-5(2,3)4/h1-9,15-16H;(H2,1,2,3,4)
InChIKeyDDMDIBTVVVTUKA-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.89
Rot. Bonds1

About 2-(1H-indol-2-yl)phenol;sulfuric acid

2-(1H-indol-2-yl)phenol;sulfuric acid (PubChem CID 155109187) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)phenol;sulfuric acid.

Molecular Properties

Compound Name2-(1H-indol-2-yl)phenol;sulfuric acid
PubChem CID155109187
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name2-(1H-indol-2-yl)phenol;sulfuric acid
SMILESO=S(=O)(O)O.Oc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C14H11NO.H2O4S/c16-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)15-13;1-5(2,3)4/h1-9,15-16H;(H2,1,2,3,4)
InChIKeyDDMDIBTVVVTUKA-UHFFFAOYSA-N
XLogP2.89
TPSA110.62 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)phenol;sulfuric acid?
The IUPAC name of 2-(1H-indol-2-yl)phenol;sulfuric acid (CID 155109187) is 2-(1H-indol-2-yl)phenol;sulfuric acid.
What is the SMILES notation for 2-(1H-indol-2-yl)phenol;sulfuric acid?
The canonical SMILES for 2-(1H-indol-2-yl)phenol;sulfuric acid is O=S(=O)(O)O.Oc1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)phenol;sulfuric acid?
The InChIKey is DDMDIBTVVVTUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.H2O4S/c16-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)15-13;1-5(2,3)4/h1-9,15-16H;(H2,1,2,3,4).
What are the key properties of 2-(1H-indol-2-yl)phenol;sulfuric acid?
2-(1H-indol-2-yl)phenol;sulfuric acid has a molecular weight of 307.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)phenol;sulfuric acid is sourced from PubChem (CID 155109187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).