2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol

C18H22FNO — CID 19775352

IUPAC2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol
SMILESCCCCC(Cc1ccc(F)cc1)C(O)c1cccnc1
InChIInChI=1S/C18H22FNO/c1-2-3-5-15(12-14-7-9-17(19)10-8-14)18(21)16-6-4-11-20-13-16/h4,6-11,13,15,18,21H,2-3,5,12H2,1H3
InChIKeyODUCPBRIWGSJIV-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.30
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol

2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol (PubChem CID 19775352) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol
PubChem CID19775352
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol
SMILESCCCCC(Cc1ccc(F)cc1)C(O)c1cccnc1
InChIInChI=1S/C18H22FNO/c1-2-3-5-15(12-14-7-9-17(19)10-8-14)18(21)16-6-4-11-20-13-16/h4,6-11,13,15,18,21H,2-3,5,12H2,1H3
InChIKeyODUCPBRIWGSJIV-UHFFFAOYSA-N
XLogP4.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol (CID 19775352) is 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol is CCCCC(Cc1ccc(F)cc1)C(O)c1cccnc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol?
The InChIKey is ODUCPBRIWGSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-3-5-15(12-14-7-9-17(19)10-8-14)18(21)16-6-4-11-20-13-16/h4,6-11,13,15,18,21H,2-3,5,12H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol?
2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-pyridin-3-ylhexan-1-ol is sourced from PubChem (CID 19775352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).