1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone

C15H12N4O3 — CID 67367247

IUPAC1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N4O3/c20-11-5-6-12(14(22)8-11)13(21)7-9-1-3-10(4-2-9)15-16-18-19-17-15/h1-6,8,20,22H,7H2,(H,16,17,18,19)
InChIKeyGGUYGMKQUJMOES-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.70
Rot. Bonds4

About 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone

1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone (PubChem CID 67367247) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone
PubChem CID67367247
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N4O3/c20-11-5-6-12(14(22)8-11)13(21)7-9-1-3-10(4-2-9)15-16-18-19-17-15/h1-6,8,20,22H,7H2,(H,16,17,18,19)
InChIKeyGGUYGMKQUJMOES-UHFFFAOYSA-N
XLogP1.70
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-hydroxy-3-propyl-4-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]ethanone
CID 10047169
1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-phenyl)-3-methyl-butan-1-one
CID 9979770
1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-phenyl)-3-methyl-butan-1-one
CID 10026879
1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-phenyl)-butan-1-one
CID 10251009
1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-phenyl)-propan-1-one
CID 10318576
1-[2-hydroxy-3-propyl-4-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]ethanone
CID 13781092
1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-pentyloxy}-phenyl)-ethanone
CID 44395282
1-(2-Hydroxy-4-{1-methyl-4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-3-propyl-phenyl)-ethanone
CID 44395299
1-(2-Hydroxy-4-{1-methyl-4-[4-(2H-tetrazol-5-yl)-phenoxy]-pentyloxy}-3-propyl-phenyl)-ethanone
CID 44395327
1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-phenoxy]-butoxy}-phenyl)-ethanone
CID 9999945
1-[2-hydroxy-3-propyl-4-({5-[4-(1H-tetraazol-5-yl)phenoxy]pentyl}oxy)phenyl]-ethanone
CID 11743092
1-(2-Hydroxy-3-propyl-4-{3-[4-(2H-tetrazol-5-yl)-phenoxy]-propoxy}-phenyl)-ethanone
CID 44395191

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone (CID 67367247) is 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone is O=C(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone?
The InChIKey is GGUYGMKQUJMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-11-5-6-12(14(22)8-11)13(21)7-9-1-3-10(4-2-9)15-16-18-19-17-15/h1-6,8,20,22H,7H2,(H,16,17,18,19).
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone?
1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone has a molecular weight of 296.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 67367247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).