1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde

C11H12N4O2 — CID 170902845

IUPAC1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde
SMILESCC(C)Oc1cccc(-n2nnnc2C=O)c1
InChIInChI=1S/C11H12N4O2/c1-8(2)17-10-5-3-4-9(6-10)15-11(7-16)12-13-14-15/h3-8H,1-2H3
InChIKeySVBDBNHQWHFLME-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.26
Rot. Bonds4

About 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde

1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde (PubChem CID 170902845) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde
PubChem CID170902845
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde
SMILESCC(C)Oc1cccc(-n2nnnc2C=O)c1
InChIInChI=1S/C11H12N4O2/c1-8(2)17-10-5-3-4-9(6-10)15-11(7-16)12-13-14-15/h3-8H,1-2H3
InChIKeySVBDBNHQWHFLME-UHFFFAOYSA-N
XLogP1.26
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
(E)-3-[1-(3-acetylphenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366534
5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole
CID 103084357
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096
oxo-bis(3-propan-2-yloxyphenyl)phosphanium
CID 67298110
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
CID 103084802
1-(2-bromophenyl)tetrazole-5-carbaldehyde
CID 83900609
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
propan-2-yl 3-[5-(2-aminoethyl)tetrazol-1-yl]benzoate
CID 82228047
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde (CID 170902845) is 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde is CC(C)Oc1cccc(-n2nnnc2C=O)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde?
The InChIKey is SVBDBNHQWHFLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(2)17-10-5-3-4-9(6-10)15-11(7-16)12-13-14-15/h3-8H,1-2H3.
What are the key properties of 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde?
1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde has a molecular weight of 232.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde is sourced from PubChem (CID 170902845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).