1-(2,6-dimethylphenyl)pyrrole-2,5-diol

C12H13NO2 — CID 91015148

IUPAC1-(2,6-dimethylphenyl)pyrrole-2,5-diol
SMILESCc1cccc(C)c1-n1c(O)ccc1O
InChIInChI=1S/C12H13NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7,14-15H,1-2H3
InChIKeyNYUJJAVZWDNBBD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.51
Rot. Bonds1

About 1-(2,6-dimethylphenyl)pyrrole-2,5-diol

1-(2,6-dimethylphenyl)pyrrole-2,5-diol (PubChem CID 91015148) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)pyrrole-2,5-diol
PubChem CID91015148
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(2,6-dimethylphenyl)pyrrole-2,5-diol
SMILESCc1cccc(C)c1-n1c(O)ccc1O
InChIInChI=1S/C12H13NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7,14-15H,1-2H3
InChIKeyNYUJJAVZWDNBBD-UHFFFAOYSA-N
XLogP2.51
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,6-dimethylphenyl)pyrrole-2,5-diol (CID 91015148) is 1-(2,6-dimethylphenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,6-dimethylphenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,6-dimethylphenyl)pyrrole-2,5-diol is Cc1cccc(C)c1-n1c(O)ccc1O.
What is the InChIKey of 1-(2,6-dimethylphenyl)pyrrole-2,5-diol?
The InChIKey is NYUJJAVZWDNBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7,14-15H,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)pyrrole-2,5-diol?
1-(2,6-dimethylphenyl)pyrrole-2,5-diol has a molecular weight of 203.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)pyrrole-2,5-diol is sourced from PubChem (CID 91015148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).