2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol

C24H23F2NO2 — CID 54157007

IUPAC2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
SMILESCC(O)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)c(F)c3F)cn2)cc1
InChIInChI=1S/C24H23F2NO2/c1-16(28)5-3-2-4-6-17-7-9-18(10-8-17)21-13-11-19(15-27-21)20-12-14-22(29)24(26)23(20)25/h4,6-16,28-29H,2-3,5H2,1H3
InChIKeyOLTZZFZIEDQOLJ-UHFFFAOYSA-N
MW395.45 g/mol
LogP5.96
Rot. Bonds7

About 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol

2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol (PubChem CID 54157007) has the molecular formula C24H23F2NO2 and a molecular weight of 395.45 g/mol. Its IUPAC name is 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
PubChem CID54157007
Molecular FormulaC24H23F2NO2
Molecular Weight395.45 g/mol
Exact Mass395.17
IUPAC Name2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
SMILESCC(O)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)c(F)c3F)cn2)cc1
InChIInChI=1S/C24H23F2NO2/c1-16(28)5-3-2-4-6-17-7-9-18(10-8-17)21-13-11-19(15-27-21)20-12-14-22(29)24(26)23(20)25/h4,6-16,28-29H,2-3,5H2,1H3
InChIKeyOLTZZFZIEDQOLJ-UHFFFAOYSA-N
XLogP5.96
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.96
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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Related Compounds

2,3-difluoro-4-[6-[(E)-6-hydroxyhept-1-enyl]-3-pyridinyl]phenol
CID 19352550
(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70263841
7-[4-[6-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260643
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
7-[6-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263996
2,3-difluoro-4-[4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]phenyl]phenol
CID 70262779

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol?
The IUPAC name of 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol (CID 54157007) is 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol.
What is the SMILES notation for 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol?
The canonical SMILES for 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol is CC(O)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)c(F)c3F)cn2)cc1.
What is the InChIKey of 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol?
The InChIKey is OLTZZFZIEDQOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO2/c1-16(28)5-3-2-4-6-17-7-9-18(10-8-17)21-13-11-19(15-27-21)20-12-14-22(29)24(26)23(20)25/h4,6-16,28-29H,2-3,5H2,1H3.
What are the key properties of 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol?
2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol has a molecular weight of 395.45 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[6-[4-(6-hydroxyhept-1-enyl)phenyl]-3-pyridinyl]phenol is sourced from PubChem (CID 54157007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).