4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol

C18H17FN2O — CID 42642720

IUPAC4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol
SMILESCCC(c1ccc(-c2ccc(O)cc2)cc1F)n1ccnc1
InChIInChI=1S/C18H17FN2O/c1-2-18(21-10-9-20-12-21)16-8-5-14(11-17(16)19)13-3-6-15(22)7-4-13/h3-12,18,22H,2H2,1H3
InChIKeyCWQQYYPTLDTTMH-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.39
Rot. Bonds4

About 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol

4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol (PubChem CID 42642720) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol
PubChem CID42642720
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol
SMILESCCC(c1ccc(-c2ccc(O)cc2)cc1F)n1ccnc1
InChIInChI=1S/C18H17FN2O/c1-2-18(21-10-9-20-12-21)16-8-5-14(11-17(16)19)13-3-6-15(22)7-4-13/h3-12,18,22H,2H2,1H3
InChIKeyCWQQYYPTLDTTMH-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,4-diol
CID 42642718
2,6-Bis(1h-Imidazol-1-Ylmethyl)-4-(2,4,4-Trimethylpentan-2-Yl)phenol
CID 73427242
1-(4-Hydroxybenzyl)imidazole
CID 193822
2-[1-(1H-imidazol-1-yl)vinyl]phenol
CID 2805536
4''-(1H-Imidazol-1-yl-propyl)-biphenyl-4-ol
CID 42642716
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3-ol
CID 42642717
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,5-diol
CID 42642719
7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol
CID 44586828
1-(4-methylphenyl)-1-phenyl-2-[1-(1-propenyl)-1H-imidazol-2-yl]ethanol
CID 6270550
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
CID 129137244
4-[1,1-Bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol
CID 129137246

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol?
The IUPAC name of 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol (CID 42642720) is 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol.
What is the SMILES notation for 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol?
The canonical SMILES for 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol is CCC(c1ccc(-c2ccc(O)cc2)cc1F)n1ccnc1.
What is the InChIKey of 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol?
The InChIKey is CWQQYYPTLDTTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-2-18(21-10-9-20-12-21)16-8-5-14(11-17(16)19)13-3-6-15(22)7-4-13/h3-12,18,22H,2H2,1H3.
What are the key properties of 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol?
4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol has a molecular weight of 296.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(1-imidazol-1-ylpropyl)phenyl]phenol is sourced from PubChem (CID 42642720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).