6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride

C18H24ClNO2 — CID 70510799

IUPAC6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride
SMILESCl.OCCCCCCc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C18H23NO2.ClH/c20-13-4-2-1-3-6-16-7-5-8-18(14-16)21-15-17-9-11-19-12-10-17;/h5,7-12,14,20H,1-4,6,13,15H2;1H
InChIKeyUUVXYQLYJPVUDC-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.18
Rot. Bonds9

About 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride

6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride (PubChem CID 70510799) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride.

Molecular Properties

Compound Name6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride
PubChem CID70510799
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride
SMILESCl.OCCCCCCc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C18H23NO2.ClH/c20-13-4-2-1-3-6-16-7-5-8-18(14-16)21-15-17-9-11-19-12-10-17;/h5,7-12,14,20H,1-4,6,13,15H2;1H
InChIKeyUUVXYQLYJPVUDC-UHFFFAOYSA-N
XLogP4.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
2-[4-(3-phenylmethoxyphenyl)butyl]guanidine
CID 158768740
8-pyridin-3-yloctan-1-ol
CID 11830623
4-[[3-(pyridin-4-ylmethoxy)phenyl]methylamino]benzoic acid
CID 71055489
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
CID 170867815
CID 59694590
CID 59694590
3-(4-hydroxybutyl)phenol
CID 19991537
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302

Frequently Asked Questions

What is the IUPAC name of 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride?
The IUPAC name of 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride (CID 70510799) is 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride.
What is the SMILES notation for 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride?
The canonical SMILES for 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride is Cl.OCCCCCCc1cccc(OCc2ccncc2)c1.
What is the InChIKey of 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride?
The InChIKey is UUVXYQLYJPVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c20-13-4-2-1-3-6-16-7-5-8-18(14-16)21-15-17-9-11-19-12-10-17;/h5,7-12,14,20H,1-4,6,13,15H2;1H.
What are the key properties of 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride?
6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride is sourced from PubChem (CID 70510799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).