1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol

C17H21NO — CID 105131085

IUPAC1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol
SMILESCCCc1cccc(C(O)CCc2ccccn2)c1
InChIInChI=1S/C17H21NO/c1-2-6-14-7-5-8-15(13-14)17(19)11-10-16-9-3-4-12-18-16/h3-5,7-9,12-13,17,19H,2,6,10-11H2,1H3
InChIKeyVMPJCDBWFOVFTE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds6

About 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol

1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol (PubChem CID 105131085) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol
PubChem CID105131085
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol
SMILESCCCc1cccc(C(O)CCc2ccccn2)c1
InChIInChI=1S/C17H21NO/c1-2-6-14-7-5-8-15(13-14)17(19)11-10-16-9-3-4-12-18-16/h3-5,7-9,12-13,17,19H,2,6,10-11H2,1H3
InChIKeyVMPJCDBWFOVFTE-UHFFFAOYSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
3-pyridin-2-yl-1-quinolin-6-ylpropan-1-ol
CID 105118735
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105
1-(3-butylphenyl)butan-1-ol
CID 158563510
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyridin-2-ylpropan-1-ol
CID 105094348
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105117283
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol (CID 105131085) is 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol is CCCc1cccc(C(O)CCc2ccccn2)c1.
What is the InChIKey of 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol?
The InChIKey is VMPJCDBWFOVFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-6-14-7-5-8-15(13-14)17(19)11-10-16-9-3-4-12-18-16/h3-5,7-9,12-13,17,19H,2,6,10-11H2,1H3.
What are the key properties of 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol?
1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 105131085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).