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

C15H12N4O3 — CID 87373419

IUPAC2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde
SMILESO=CC(c1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N4O3/c20-8-13(12-6-5-11(21)7-14(12)22)9-1-3-10(4-2-9)15-16-18-19-17-15/h1-8,13,21-22H,(H,16,17,18,19)
InChIKeyGYONSNXBJJZQKA-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.61
Rot. Bonds4

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

2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde (PubChem CID 87373419) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde
PubChem CID87373419
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde
SMILESO=CC(c1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N4O3/c20-8-13(12-6-5-11(21)7-14(12)22)9-1-3-10(4-2-9)15-16-18-19-17-15/h1-8,13,21-22H,(H,16,17,18,19)
InChIKeyGYONSNXBJJZQKA-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde (CID 87373419) is 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde is O=CC(c1ccc(-c2nn[nH]n2)cc1)c1ccc(O)cc1O.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde?
The InChIKey is GYONSNXBJJZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-8-13(12-6-5-11(21)7-14(12)22)9-1-3-10(4-2-9)15-16-18-19-17-15/h1-8,13,21-22H,(H,16,17,18,19).
What are the key properties of 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde?
2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde has a molecular weight of 296.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde is sourced from PubChem (CID 87373419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).