6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol

C23H30FNO2 — CID 70262722

IUPAC6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol
SMILESCCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cn2)c(F)c1
InChIInChI=1S/C23H30FNO2/c1-3-4-8-15-27-18(2)9-6-5-7-10-19-11-13-21(22(24)16-19)23-14-12-20(26)17-25-23/h7,10-14,16-18,26H,3-6,8-9,15H2,1-2H3
InChIKeyXHFLUTMOIQKEAR-UHFFFAOYSA-N
MW371.50 g/mol
LogP6.37
Rot. Bonds11

About 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol

6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol (PubChem CID 70262722) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol
PubChem CID70262722
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol
SMILESCCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cn2)c(F)c1
InChIInChI=1S/C23H30FNO2/c1-3-4-8-15-27-18(2)9-6-5-7-10-19-11-13-21(22(24)16-19)23-14-12-20(26)17-25-23/h7,10-14,16-18,26H,3-6,8-9,15H2,1-2H3
InChIKeyXHFLUTMOIQKEAR-UHFFFAOYSA-N
XLogP6.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 56.37
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

3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol
CID 173288698
3-fluoro-4-[6-[4-(6-pentoxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
CID 70264003
2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine
CID 70265327
5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
CID 70263243
4-[5-[4-(6-pentoxyhept-1-enyl)phenyl]pyrazin-2-yl]phenol
CID 173288690
3-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enoxypyridazine
CID 70263112
4-[6-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-3-pyridinyl]phenol
CID 70264761
4-[2,3-difluoro-4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]phenyl]phenol
CID 70260854
3-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]isoquinolin-7-ol
CID 70263304
2-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70264415
5-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-2-(4-prop-2-enoxyphenyl)pyrimidine
CID 70265189
4-[6-[3-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-3-pyridinyl]phenol
CID 70260782

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol?
The IUPAC name of 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol (CID 70262722) is 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol?
The canonical SMILES for 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol is CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cn2)c(F)c1.
What is the InChIKey of 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol?
The InChIKey is XHFLUTMOIQKEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-3-4-8-15-27-18(2)9-6-5-7-10-19-11-13-21(22(24)16-19)23-14-12-20(26)17-25-23/h7,10-14,16-18,26H,3-6,8-9,15H2,1-2H3.
What are the key properties of 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol?
6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol has a molecular weight of 371.50 g/mol, XLogP of 6.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol is sourced from PubChem (CID 70262722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).