1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol

C13H13ClN2O — CID 172550907

IUPAC1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cnc(Cl)nc1
InChIInChI=1S/C13H13ClN2O/c14-13-15-8-11(9-16-13)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,12,17H,6-7H2
InChIKeyOLAUGMFGJMZUSI-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol

1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol (PubChem CID 172550907) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol
PubChem CID172550907
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cnc(Cl)nc1
InChIInChI=1S/C13H13ClN2O/c14-13-15-8-11(9-16-13)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,12,17H,6-7H2
InChIKeyOLAUGMFGJMZUSI-UHFFFAOYSA-N
XLogP2.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(2S)-2-(2-chloropyrimidin-5-yl)-4-phenylbutanenitrile
CID 134967256
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
CID 79781097
5-[[5-(1-hydroxy-3-phenylpropyl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459936
1-isoquinolin-1-yl-3-phenylpropan-1-ol
CID 63950464
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol (CID 172550907) is 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1cnc(Cl)nc1.
What is the InChIKey of 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol?
The InChIKey is OLAUGMFGJMZUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-13-15-8-11(9-16-13)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,12,17H,6-7H2.
What are the key properties of 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol?
1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol has a molecular weight of 248.71 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 172550907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).