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

C11H13ClN4O — CID 107103559

IUPAC1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1nnn(C)n1
InChIInChI=1S/C11H13ClN4O/c1-7-8(4-3-5-9(7)12)10(17)6-11-13-15-16(2)14-11/h3-5,10,17H,6H2,1-2H3
InChIKeyWHKWLTRBPRFCDU-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.45
Rot. Bonds3

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

1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107103559) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107103559
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1nnn(C)n1
InChIInChI=1S/C11H13ClN4O/c1-7-8(4-3-5-9(7)12)10(17)6-11-13-15-16(2)14-11/h3-5,10,17H,6H2,1-2H3
InChIKeyWHKWLTRBPRFCDU-UHFFFAOYSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
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-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049322
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103386
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107103559) is 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cc1c(Cl)cccc1C(O)Cc1nnn(C)n1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is WHKWLTRBPRFCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7-8(4-3-5-9(7)12)10(17)6-11-13-15-16(2)14-11/h3-5,10,17H,6H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 252.71 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107103559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).