3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol

C12H15ClN4O2 — CID 107065734

IUPAC3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)Cc1nnn(C)n1
InChIInChI=1S/C12H15ClN4O2/c1-8(19-10-5-3-4-9(13)6-10)11(18)7-12-14-16-17(2)15-12/h3-6,8,11,18H,7H2,1-2H3
InChIKeyDHWOEVSBIAEYOY-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.23
Rot. Bonds5

About 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol

3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol (PubChem CID 107065734) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
PubChem CID107065734
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)Cc1nnn(C)n1
InChIInChI=1S/C12H15ClN4O2/c1-8(19-10-5-3-4-9(13)6-10)11(18)7-12-14-16-17(2)15-12/h3-6,8,11,18H,7H2,1-2H3
InChIKeyDHWOEVSBIAEYOY-UHFFFAOYSA-N
XLogP1.23
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107078
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2-methyltetrazole
CID 107058150
3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
CID 105377681
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 106465641
2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053428
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol (CID 107065734) is 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol is CC(Oc1cccc(Cl)c1)C(O)Cc1nnn(C)n1.
What is the InChIKey of 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol?
The InChIKey is DHWOEVSBIAEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-8(19-10-5-3-4-9(13)6-10)11(18)7-12-14-16-17(2)15-12/h3-6,8,11,18H,7H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol?
3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol has a molecular weight of 282.73 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol is sourced from PubChem (CID 107065734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).