1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol

C15H16ClNO — CID 105076712

IUPAC1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
SMILESOC(CCc1cccnc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-14-6-3-12(4-7-14)10-15(18)8-5-13-2-1-9-17-11-13/h1-4,6-7,9,11,15,18H,5,8,10H2
InChIKeyAYYHGUFYVULQGK-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol

1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol (PubChem CID 105076712) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
PubChem CID105076712
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
SMILESOC(CCc1cccnc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-14-6-3-12(4-7-14)10-15(18)8-5-13-2-1-9-17-11-13/h1-4,6-7,9,11,15,18H,5,8,10H2
InChIKeyAYYHGUFYVULQGK-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol
CID 105106899
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-pyridin-3-ylundecan-3-ol
CID 105085819
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
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1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol (CID 105076712) is 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol is OC(CCc1cccnc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol?
The InChIKey is AYYHGUFYVULQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-6-3-12(4-7-14)10-15(18)8-5-13-2-1-9-17-11-13/h1-4,6-7,9,11,15,18H,5,8,10H2.
What are the key properties of 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol?
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol has a molecular weight of 261.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 105076712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).