1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol

C10H10BrClN4O — CID 107065856

IUPAC1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2cccc(Br)c2Cl)n1
InChIInChI=1S/C10H10BrClN4O/c1-16-14-9(13-15-16)5-8(17)6-3-2-4-7(11)10(6)12/h2-4,8,17H,5H2,1H3
InChIKeyDPTZSCUNAXGCQL-UHFFFAOYSA-N
MW317.57 g/mol
LogP1.90
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107065856) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107065856
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2cccc(Br)c2Cl)n1
InChIInChI=1S/C10H10BrClN4O/c1-16-14-9(13-15-16)5-8(17)6-3-2-4-7(11)10(6)12/h2-4,8,17H,5H2,1H3
InChIKeyDPTZSCUNAXGCQL-UHFFFAOYSA-N
XLogP1.90
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811518
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816458
1-(3-bromo-2-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807950
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065771
1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol
CID 115783703
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107065856) is 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)c2cccc(Br)c2Cl)n1.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is DPTZSCUNAXGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/c1-16-14-9(13-15-16)5-8(17)6-3-2-4-7(11)10(6)12/h2-4,8,17H,5H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 317.57 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107065856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).