3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol

C17H19NO2 — CID 117051625

IUPAC3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol
SMILESOC1CCCC(Oc2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C17H19NO2/c19-15-4-1-5-17(11-15)20-16-8-6-13(7-9-16)14-3-2-10-18-12-14/h2-3,6-10,12,15,17,19H,1,4-5,11H2
InChIKeyPEFSJUUPGNCIAE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.43
Rot. Bonds3

About 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol

3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol (PubChem CID 117051625) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol
PubChem CID117051625
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol
SMILESOC1CCCC(Oc2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C17H19NO2/c19-15-4-1-5-17(11-15)20-16-8-6-13(7-9-16)14-3-2-10-18-12-14/h2-3,6-10,12,15,17,19H,1,4-5,11H2
InChIKeyPEFSJUUPGNCIAE-UHFFFAOYSA-N
XLogP3.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxycyclohexan-1-ol
CID 79617811
4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
CID 117051630
3-(4-chlorophenoxy)cyclohexan-1-ol
CID 123350797
3-(4-benzylphenoxy)cyclohexan-1-ol
CID 79599479
3-cycloheptyloxypyridine
CID 112558615
3-(3-hydroxycyclohexyl)oxyphenol
CID 117095404
CID 140826858
CID 140826858
3-pyridin-2-yloxycyclohexan-1-ol
CID 117051379
cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol
CID 97056382
trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
CID 67133890
3-azulen-6-ylpyridine
CID 86232079
3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol?
The IUPAC name of 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol (CID 117051625) is 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol?
The canonical SMILES for 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol is OC1CCCC(Oc2ccc(-c3cccnc3)cc2)C1.
What is the InChIKey of 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol?
The InChIKey is PEFSJUUPGNCIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-15-4-1-5-17(11-15)20-16-8-6-13(7-9-16)14-3-2-10-18-12-14/h2-3,6-10,12,15,17,19H,1,4-5,11H2.
What are the key properties of 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol?
3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-ylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 117051625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).