1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol

C10H10ClIN4O — CID 107065787

IUPAC1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2ccc(I)c(Cl)c2)n1
InChIInChI=1S/C10H10ClIN4O/c1-16-14-10(13-15-16)5-9(17)6-2-3-8(12)7(11)4-6/h2-4,9,17H,5H2,1H3
InChIKeyVKIIBHACBVBFKN-UHFFFAOYSA-N
MW364.57 g/mol
LogP1.74
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107065787) has the molecular formula C10H10ClIN4O and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107065787
Molecular FormulaC10H10ClIN4O
Molecular Weight364.57 g/mol
Exact Mass363.96
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2ccc(I)c(Cl)c2)n1
InChIInChI=1S/C10H10ClIN4O/c1-16-14-10(13-15-16)5-9(17)6-2-3-8(12)7(11)4-6/h2-4,9,17H,5H2,1H3
InChIKeyVKIIBHACBVBFKN-UHFFFAOYSA-N
XLogP1.74
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216893
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107046110
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216924
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 103216978
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107065787) is 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)c2ccc(I)c(Cl)c2)n1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is VKIIBHACBVBFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN4O/c1-16-14-10(13-15-16)5-9(17)6-2-3-8(12)7(11)4-6/h2-4,9,17H,5H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 364.57 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107065787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).