3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol

C23H30FNO2 — CID 173288698

IUPAC3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol
SMILESCCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cc2F)nc1
InChIInChI=1S/C23H30FNO2/c1-3-4-8-15-27-18(2)9-6-5-7-10-19-11-14-23(25-17-19)21-13-12-20(26)16-22(21)24/h7,10-14,16-18,26H,3-6,8-9,15H2,1-2H3
InChIKeyIKYQRUBLJLPAPJ-UHFFFAOYSA-N
MW371.50 g/mol
LogP6.37
Rot. Bonds11

About 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol

3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol (PubChem CID 173288698) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol
PubChem CID173288698
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol
SMILESCCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cc2F)nc1
InChIInChI=1S/C23H30FNO2/c1-3-4-8-15-27-18(2)9-6-5-7-10-19-11-14-23(25-17-19)21-13-12-20(26)16-22(21)24/h7,10-14,16-18,26H,3-6,8-9,15H2,1-2H3
InChIKeyIKYQRUBLJLPAPJ-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'}

Analyze 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol
CID 70262722
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
4-[5-[4-(6-pentoxyhept-1-enyl)phenyl]pyrazin-2-yl]phenol
CID 173288690
4-[6-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-3-pyridinyl]phenol
CID 70264761
3-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]isoquinolin-7-ol
CID 70263304
4-[2,3-difluoro-4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]phenyl]phenol
CID 70260854
5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
CID 70263243
3-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enoxypyridazine
CID 70263112
4-[6-[3-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-3-pyridinyl]phenol
CID 70260782
2-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-5-[(E)-6-pentoxyhept-1-enyl]pyridine
CID 70260749
2-(2,3-difluoro-4-prop-2-enylphenyl)-5-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]pyridine
CID 70264236

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol?
The IUPAC name of 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol (CID 173288698) is 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol is CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cc2F)nc1.
What is the InChIKey of 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol?
The InChIKey is IKYQRUBLJLPAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-3-4-8-15-27-18(2)9-6-5-7-10-19-11-14-23(25-17-19)21-13-12-20(26)16-22(21)24/h7,10-14,16-18,26H,3-6,8-9,15H2,1-2H3.
What are the key properties of 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol?
3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol 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 3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol is sourced from PubChem (CID 173288698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).