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

C23H22N4O — CID 57222007

IUPAC[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
SMILESOCc1ccc(CC(Cc2cccc(-c3nn[nH]n3)c2)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O/c28-16-18-11-9-17(10-12-18)13-22(20-6-2-1-3-7-20)15-19-5-4-8-21(14-19)23-24-26-27-25-23/h1-12,14,22,28H,13,15-16H2,(H,24,25,26,27)
InChIKeyKUCQDWBBRSOHRW-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.93
Rot. Bonds7

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

[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol (PubChem CID 57222007) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
PubChem CID57222007
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
SMILESOCc1ccc(CC(Cc2cccc(-c3nn[nH]n3)c2)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O/c28-16-18-11-9-17(10-12-18)13-22(20-6-2-1-3-7-20)15-19-5-4-8-21(14-19)23-24-26-27-25-23/h1-12,14,22,28H,13,15-16H2,(H,24,25,26,27)
InChIKeyKUCQDWBBRSOHRW-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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Related Compounds

[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
CID 57211358
6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide
CID 123830213
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
CID 139791602
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 123844670
2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid
CID 56986254
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]isoindole-1,3-dione
CID 137333040
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
5-(4-ethylphenyl)-2H-tetrazole;1-isocyano-3-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 161472575
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
4-(2,3-diphenylpropyl)phthalic acid
CID 174539702

Frequently Asked Questions

What is the IUPAC name of [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
The IUPAC name of [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol (CID 57222007) is [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol.
What is the SMILES notation for [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
The canonical SMILES for [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol is OCc1ccc(CC(Cc2cccc(-c3nn[nH]n3)c2)c2ccccc2)cc1.
What is the InChIKey of [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
The InChIKey is KUCQDWBBRSOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-16-18-11-9-17(10-12-18)13-22(20-6-2-1-3-7-20)15-19-5-4-8-21(14-19)23-24-26-27-25-23/h1-12,14,22,28H,13,15-16H2,(H,24,25,26,27).
What are the key properties of [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol?
[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]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 [4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol is sourced from PubChem (CID 57222007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).