[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol

C23H22N4O — CID 57211358

IUPAC[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
SMILESOCc1cccc(C(Cc2ccccc2)Cc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C23H22N4O/c28-16-19-9-5-10-20(15-19)22(12-17-6-2-1-3-7-17)14-18-8-4-11-21(13-18)23-24-26-27-25-23/h1-11,13,15,22,28H,12,14,16H2,(H,24,25,26,27)
InChIKeyFQSOEBABCVPNGC-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.93
Rot. Bonds7

About [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol

[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol (PubChem CID 57211358) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
PubChem CID57211358
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
SMILESOCc1cccc(C(Cc2ccccc2)Cc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C23H22N4O/c28-16-19-9-5-10-20(15-19)22(12-17-6-2-1-3-7-17)14-18-8-4-11-21(13-18)23-24-26-27-25-23/h1-11,13,15,22,28H,12,14,16H2,(H,24,25,26,27)
InChIKeyFQSOEBABCVPNGC-UHFFFAOYSA-N
XLogP3.93
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol?
The IUPAC name of [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol (CID 57211358) is [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol?
The canonical SMILES for [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol is OCc1cccc(C(Cc2ccccc2)Cc2cccc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol?
The InChIKey is FQSOEBABCVPNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-16-19-9-5-10-20(15-19)22(12-17-6-2-1-3-7-17)14-18-8-4-11-21(13-18)23-24-26-27-25-23/h1-11,13,15,22,28H,12,14,16H2,(H,24,25,26,27).
What are the key properties of [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol?
[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol has a molecular weight of 370.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol is sourced from PubChem (CID 57211358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).