3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol

C18H20FNO2 — CID 54188649

IUPAC3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol
SMILESCC(O)CCCC=Cc1ccc(-c2ccc(O)cc2F)cn1
InChIInChI=1S/C18H20FNO2/c1-13(21)5-3-2-4-6-15-8-7-14(12-20-15)17-10-9-16(22)11-18(17)19/h4,6-13,21-22H,2-3,5H2,1H3
InChIKeyPGXSYXXDZJBPGE-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.16
Rot. Bonds6

About 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol

3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol (PubChem CID 54188649) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol
PubChem CID54188649
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol
SMILESCC(O)CCCC=Cc1ccc(-c2ccc(O)cc2F)cn1
InChIInChI=1S/C18H20FNO2/c1-13(21)5-3-2-4-6-15-8-7-14(12-20-15)17-10-9-16(22)11-18(17)19/h4,6-13,21-22H,2-3,5H2,1H3
InChIKeyPGXSYXXDZJBPGE-UHFFFAOYSA-N
XLogP4.16
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol?
The IUPAC name of 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol (CID 54188649) is 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol.
What is the SMILES notation for 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol?
The canonical SMILES for 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol is CC(O)CCCC=Cc1ccc(-c2ccc(O)cc2F)cn1.
What is the InChIKey of 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol?
The InChIKey is PGXSYXXDZJBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(21)5-3-2-4-6-15-8-7-14(12-20-15)17-10-9-16(22)11-18(17)19/h4,6-13,21-22H,2-3,5H2,1H3.
What are the key properties of 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol?
3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol has a molecular weight of 301.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(6-hydroxyhept-1-enyl)-3-pyridinyl]phenol is sourced from PubChem (CID 54188649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).