2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol

C16H13NO2 — CID 19431288

IUPAC2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol
SMILESOc1ccccc1-c1cc[nH]c1-c1ccccc1O
InChIInChI=1S/C16H13NO2/c18-14-7-3-1-5-11(14)12-9-10-17-16(12)13-6-2-4-8-15(13)19/h1-10,17-19H
InChIKeyKIWHAVREDXSKSF-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.76
Rot. Bonds2

About 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol

2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol (PubChem CID 19431288) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol
PubChem CID19431288
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol
SMILESOc1ccccc1-c1cc[nH]c1-c1ccccc1O
InChIInChI=1S/C16H13NO2/c18-14-7-3-1-5-11(14)12-9-10-17-16(12)13-6-2-4-8-15(13)19/h1-10,17-19H
InChIKeyKIWHAVREDXSKSF-UHFFFAOYSA-N
XLogP3.76
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol (CID 19431288) is 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol is Oc1ccccc1-c1cc[nH]c1-c1ccccc1O.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol?
The InChIKey is KIWHAVREDXSKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-14-7-3-1-5-11(14)12-9-10-17-16(12)13-6-2-4-8-15(13)19/h1-10,17-19H.
What are the key properties of 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol?
2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol has a molecular weight of 251.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-1H-pyrrol-3-yl]phenol is sourced from PubChem (CID 19431288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).