3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol

C15H19NO2 — CID 57187788

IUPAC3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol
SMILESOCCC1(CCC(O)c2ccccc2)C=CC=N1
InChIInChI=1S/C15H19NO2/c17-12-10-15(8-4-11-16-15)9-7-14(18)13-5-2-1-3-6-13/h1-6,8,11,14,17-18H,7,9-10,12H2
InChIKeyGIHDUQDAQGIVFN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.26
Rot. Bonds6

About 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol

3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol (PubChem CID 57187788) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol
PubChem CID57187788
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol
SMILESOCCC1(CCC(O)c2ccccc2)C=CC=N1
InChIInChI=1S/C15H19NO2/c17-12-10-15(8-4-11-16-15)9-7-14(18)13-5-2-1-3-6-13/h1-6,8,11,14,17-18H,7,9-10,12H2
InChIKeyGIHDUQDAQGIVFN-UHFFFAOYSA-N
XLogP2.26
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol (CID 57187788) is 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol is OCCC1(CCC(O)c2ccccc2)C=CC=N1.
What is the InChIKey of 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol?
The InChIKey is GIHDUQDAQGIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-12-10-15(8-4-11-16-15)9-7-14(18)13-5-2-1-3-6-13/h1-6,8,11,14,17-18H,7,9-10,12H2.
What are the key properties of 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol?
3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)pyrrol-2-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 57187788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).