3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol

C21H17NO2 — CID 54163227

IUPAC3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol
SMILESOc1cc(Cc2ccc3ccccc3c2)c(O)n1-c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20-14-18(21(24)22(20)19-8-2-1-3-9-19)13-15-10-11-16-6-4-5-7-17(16)12-15/h1-12,14,23-24H,13H2
InChIKeyOPWGDXABUJQRPJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.63
Rot. Bonds3

About 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol

3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol (PubChem CID 54163227) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol
PubChem CID54163227
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol
SMILESOc1cc(Cc2ccc3ccccc3c2)c(O)n1-c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20-14-18(21(24)22(20)19-8-2-1-3-9-19)13-15-10-11-16-6-4-5-7-17(16)12-15/h1-12,14,23-24H,13H2
InChIKeyOPWGDXABUJQRPJ-UHFFFAOYSA-N
XLogP4.63
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol?
The IUPAC name of 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol (CID 54163227) is 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol.
What is the SMILES notation for 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol?
The canonical SMILES for 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol is Oc1cc(Cc2ccc3ccccc3c2)c(O)n1-c1ccccc1.
What is the InChIKey of 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol?
The InChIKey is OPWGDXABUJQRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20-14-18(21(24)22(20)19-8-2-1-3-9-19)13-15-10-11-16-6-4-5-7-17(16)12-15/h1-12,14,23-24H,13H2.
What are the key properties of 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol?
3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol has a molecular weight of 315.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethyl)-1-phenylpyrrole-2,5-diol is sourced from PubChem (CID 54163227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).