1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol

C11H13IN4O — CID 114030498

IUPAC1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCc1cccc(C(O)Cc2nnn(C)n2)c1I
InChIInChI=1S/C11H13IN4O/c1-7-4-3-5-8(11(7)12)9(17)6-10-13-15-16(2)14-10/h3-5,9,17H,6H2,1-2H3
InChIKeyGDLGBEKXLABSCS-UHFFFAOYSA-N
MW344.16 g/mol
LogP1.40
Rot. Bonds3

About 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 114030498) has the molecular formula C11H13IN4O and a molecular weight of 344.16 g/mol. Its IUPAC name is 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID114030498
Molecular FormulaC11H13IN4O
Molecular Weight344.16 g/mol
Exact Mass344.01
IUPAC Name1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCc1cccc(C(O)Cc2nnn(C)n2)c1I
InChIInChI=1S/C11H13IN4O/c1-7-4-3-5-8(11(7)12)9(17)6-10-13-15-16(2)14-10/h3-5,9,17H,6H2,1-2H3
InChIKeyGDLGBEKXLABSCS-UHFFFAOYSA-N
XLogP1.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 51.40
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-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol
CID 114029826
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 114030498) is 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cc1cccc(C(O)Cc2nnn(C)n2)c1I.
What is the InChIKey of 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is GDLGBEKXLABSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O/c1-7-4-3-5-8(11(7)12)9(17)6-10-13-15-16(2)14-10/h3-5,9,17H,6H2,1-2H3.
What are the key properties of 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 344.16 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 114030498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).