2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol

C14H17NO — CID 71217952

IUPAC2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C2=CCCC=N2)cc1
InChIInChI=1S/C14H17NO/c1-14(2,16)12-8-6-11(7-9-12)13-5-3-4-10-15-13/h5-10,16H,3-4H2,1-2H3
InChIKeyNSGBSSXKTULCAL-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.12
Rot. Bonds2

About 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol

2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol (PubChem CID 71217952) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol
PubChem CID71217952
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C2=CCCC=N2)cc1
InChIInChI=1S/C14H17NO/c1-14(2,16)12-8-6-11(7-9-12)13-5-3-4-10-15-13/h5-10,16H,3-4H2,1-2H3
InChIKeyNSGBSSXKTULCAL-UHFFFAOYSA-N
XLogP3.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol (CID 71217952) is 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol is CC(C)(O)c1ccc(C2=CCCC=N2)cc1.
What is the InChIKey of 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol?
The InChIKey is NSGBSSXKTULCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,16)12-8-6-11(7-9-12)13-5-3-4-10-15-13/h5-10,16H,3-4H2,1-2H3.
What are the key properties of 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol?
2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol has a molecular weight of 215.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-ol is sourced from PubChem (CID 71217952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).