2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

C20H16N2O2 — CID 58086833

IUPAC2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESOc1ccc(-c2c[nH]c3ncccc23)cc1OCc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-18-9-8-15(17-12-22-20-16(17)7-4-10-21-20)11-19(18)24-13-14-5-2-1-3-6-14/h1-12,23H,13H2,(H,21,22)
InChIKeyNOFZHLUKRQPLLK-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.51
Rot. Bonds4

About 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (PubChem CID 58086833) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.

Molecular Properties

Compound Name2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
PubChem CID58086833
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESOc1ccc(-c2c[nH]c3ncccc23)cc1OCc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-18-9-8-15(17-12-22-20-16(17)7-4-10-21-20)11-19(18)24-13-14-5-2-1-3-6-14/h1-12,23H,13H2,(H,21,22)
InChIKeyNOFZHLUKRQPLLK-UHFFFAOYSA-N
XLogP4.51
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The IUPAC name of 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (CID 58086833) is 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.
What is the SMILES notation for 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The canonical SMILES for 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is Oc1ccc(-c2c[nH]c3ncccc23)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The InChIKey is NOFZHLUKRQPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-18-9-8-15(17-12-22-20-16(17)7-4-10-21-20)11-19(18)24-13-14-5-2-1-3-6-14/h1-12,23H,13H2,(H,21,22).
What are the key properties of 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol has a molecular weight of 316.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is sourced from PubChem (CID 58086833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).