[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol

C23H21FN4O — CID 57247715

IUPAC[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
SMILESOCc1ccc(CC(Cc2cccc(-c3nn[nH]n3)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O/c24-22-10-8-19(9-11-22)21(12-16-4-6-17(15-29)7-5-16)14-18-2-1-3-20(13-18)23-25-27-28-26-23/h1-11,13,21,29H,12,14-15H2,(H,25,26,27,28)
InChIKeyIIHVLQQJACPOIN-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.07
Rot. Bonds7

About [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol

[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol (PubChem CID 57247715) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
PubChem CID57247715
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
SMILESOCc1ccc(CC(Cc2cccc(-c3nn[nH]n3)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O/c24-22-10-8-19(9-11-22)21(12-16-4-6-17(15-29)7-5-16)14-18-2-1-3-20(13-18)23-25-27-28-26-23/h1-11,13,21,29H,12,14-15H2,(H,25,26,27,28)
InChIKeyIIHVLQQJACPOIN-UHFFFAOYSA-N
XLogP4.07
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
The IUPAC name of [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol (CID 57247715) is [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
The canonical SMILES for [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol is OCc1ccc(CC(Cc2cccc(-c3nn[nH]n3)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
The InChIKey is IIHVLQQJACPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-22-10-8-19(9-11-22)21(12-16-4-6-17(15-29)7-5-16)14-18-2-1-3-20(13-18)23-25-27-28-26-23/h1-11,13,21,29H,12,14-15H2,(H,25,26,27,28).
What are the key properties of [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol has a molecular weight of 388.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol is sourced from PubChem (CID 57247715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).