2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone

C22H18N4O2 — CID 1169419

IUPAC2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H18N4O2/c1-28-20-13-11-17(12-14-20)16-7-9-19(10-8-16)22-23-25-26(24-22)15-21(27)18-5-3-2-4-6-18/h2-14H,15H2,1H3
InChIKeyHGIFETIPVWYHCH-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.90
Rot. Bonds6

About 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone

2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone (PubChem CID 1169419) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone
PubChem CID1169419
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone
SMILESCOc1ccc(-c2ccc(-c3nnn(CC(=O)c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H18N4O2/c1-28-20-13-11-17(12-14-20)16-7-9-19(10-8-16)22-23-25-26(24-22)15-21(27)18-5-3-2-4-6-18/h2-14H,15H2,1H3
InChIKeyHGIFETIPVWYHCH-UHFFFAOYSA-N
XLogP3.90
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone
CID 131955090
1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
methyl 4-({4-[2-(2-amino-2-oxoethyl)-2H-tetrazol-5-yl]phenoxy}methyl)benzoate
CID 1267536
4-[2-[3-(4-Octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoic acid
CID 153933360
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 649736
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
1-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-propan-2-one
CID 653064
Methyl 4-[2-[3-(4-octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoate
CID 155511630
4-[2-[2-Oxo-3-(4-phenylphenoxy)butyl]tetrazol-5-yl]benzoic acid
CID 155511821
Methyl 4-[2-[3-(4-octylphenoxy)-2-oxobutyl]tetrazol-5-yl]benzoate
CID 155512562
Methyl 4-[2-[2-oxo-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]butyl]tetrazol-5-yl]benzoate
CID 155517092
Methyl 3-[2-[3-(4-octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoate
CID 155526324

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone?
The IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone (CID 1169419) is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone is COc1ccc(-c2ccc(-c3nnn(CC(=O)c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone?
The InChIKey is HGIFETIPVWYHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-20-13-11-17(12-14-20)16-7-9-19(10-8-16)22-23-25-26(24-22)15-21(27)18-5-3-2-4-6-18/h2-14H,15H2,1H3.
What are the key properties of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone?
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone has a molecular weight of 370.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone is sourced from PubChem (CID 1169419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).