1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol

C15H15Cl2NO — CID 79781097

IUPAC1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c16-12-9-13(17)15(18-10-12)14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,14,19H,4,7-8H2
InChIKeyMLTZALGUJORTJF-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.44
Rot. Bonds5

About 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol

1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol (PubChem CID 79781097) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
PubChem CID79781097
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c16-12-9-13(17)15(18-10-12)14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,14,19H,4,7-8H2
InChIKeyMLTZALGUJORTJF-UHFFFAOYSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
1-chloro-7-phenylheptan-4-ol
CID 54140253
1-(2-chloropyrimidin-5-yl)-3-phenylpropan-1-ol
CID 172550907
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780520
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780362
1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol (CID 79781097) is 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol?
The InChIKey is MLTZALGUJORTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-12-9-13(17)15(18-10-12)14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,14,19H,4,7-8H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol?
1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol has a molecular weight of 296.20 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 79781097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).