3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol

C19H23NO2 — CID 91123547

IUPAC3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol
SMILESOCCCc1cc(C=Cc2ccccn2)cc(CCCO)c1
InChIInChI=1S/C19H23NO2/c21-11-3-5-16-13-17(6-4-12-22)15-18(14-16)8-9-19-7-1-2-10-20-19/h1-2,7-10,13-15,21-22H,3-6,11-12H2
InChIKeyYBBOIPMXWRAATM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.10
Rot. Bonds8

About 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol

3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol (PubChem CID 91123547) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol
PubChem CID91123547
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol
SMILESOCCCc1cc(C=Cc2ccccn2)cc(CCCO)c1
InChIInChI=1S/C19H23NO2/c21-11-3-5-16-13-17(6-4-12-22)15-18(14-16)8-9-19-7-1-2-10-20-19/h1-2,7-10,13-15,21-22H,3-6,11-12H2
InChIKeyYBBOIPMXWRAATM-UHFFFAOYSA-N
XLogP3.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol (CID 91123547) is 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol is OCCCc1cc(C=Cc2ccccn2)cc(CCCO)c1.
What is the InChIKey of 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol?
The InChIKey is YBBOIPMXWRAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-11-3-5-16-13-17(6-4-12-22)15-18(14-16)8-9-19-7-1-2-10-20-19/h1-2,7-10,13-15,21-22H,3-6,11-12H2.
What are the key properties of 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol?
3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol is sourced from PubChem (CID 91123547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).